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Molecule
Metamitron
CAS: 41394-05-2 · C10H10N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 41394-05-2
- Molecular Formula
- C10H10N4O
- Molecular Mass
- 202.22 g/mol
Identifiers
CAS Registry Number
41394-05-2
SMILES
Cc1nnc(-c2ccccc2)c(=O)n1N
InChI Key
VHCNQEUWZYOAEV-UHFFFAOYSA-N
InChI
InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3
Names and Synonyms
- Metamitron Common Name
- DRW 1139 Synonym
- Goltix Synonym
- 1,2,4-Triazin-5(4H)-one, 4-amino-3-methyl-6-phenyl- Synonym
- 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5(4H)-one Synonym
- 3-Methyl-4-amino-6-phenyl-1,2,4-triazin-5-one Synonym
- Metamitron Synonym
- BAY 6676 Synonym
- 4-Amino-3-methyl-6-phenyl-1,2,4-triazin-5-one Synonym
- BAY-DRW 1139 Synonym
- Goltix WG 70 Synonym
- Metron Stefes Synonym
- Goltix VM 90 Synonym
- Goltix WG Synonym
- Burakomitron Synonym
- Goltix Compact Synonym
- Gladiator Synonym
- Goltix Top Synonym
- Metron 700SL Synonym
- Metafol 700SC Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.22 g/mol | CAS Common Chemistry |
| 202.21699999999998 g/mol | RDKit | |
| 202.217 g/mol | RDKit | |
| Density | 0.60 g/cm³ | CAS Common Chemistry |
| 0.6 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | O=C1C(=NN=C(N1N)C)C=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C10H10N4O/c1-7-12-13-9(10(15)14(7)11)8-5-3-2-4-6-8/h2-6H,11H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=VHCNQEUWZYOAEV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 167 °C | CAS Common Chemistry |
| Name | Metamitron | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| 4 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 73.8 Ų | RDKit |
| 79.81 Ų | chempirical lib | |
| LogP | 0.3275199999999999 | RDKit |
| 0.3275 | RDKit | |
| Molar Refractivity | 56.615400000000015 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1 | RDKit |
| Exact Mass | 202.08546094 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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60
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20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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Quick conversion
MW = 202.22 g/mol; density = 0.600 g/mL. Edit any field — others recompute live.
