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Molecule
1-Methyl-1H-Indazol-6-Amine
CAS: 74728-65-7 · C8H9N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 74728-65-7
- Molecular Formula
- C8H9N3
- Molecular Mass
- 147.18 g/mol
Identifiers
CAS Registry Number
74728-65-7
SMILES
Cn1ncc2ccc(N)cc21
InChI Key
YTKNUPJYGSOVLV-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3
Names and Synonyms
- 1-Methyl-1H-Indazol-6-Amine Systematic Name
- 1H-Indazol-6-amine, 1-methyl- Synonym
- 1H-Indazole, 6-amino-1-methyl- Synonym
- 1-Methyl-1H-indazol-6-amine Synonym
- 1-Methyl-6-indazolamine Synonym
- 6-Amino-1-methylindazole Synonym
- 1-Methyl-6-amino-1H-indazole Synonym
- (1-Methyl-1H-indazol-6-yl)amine Synonym
- (1-Methylindazol-6-yl)amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.18 g/mol | CAS Common Chemistry |
| 147.181 g/mol | RDKit | |
| 148.189 g/mol | chempirical lib | |
| Canonical SMILES | N1=CC=2C=CC(N)=CC2N1C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N3/c1-11-8-4-7(9)3-2-6(8)5-10-11/h2-5H,9H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YTKNUPJYGSOVLV-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 172-173 °C | CAS Common Chemistry |
| Name | 1-Methyl-1H-indazol-6-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| 2 | RDKit | |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 43.84 Ų | RDKit |
| LogP | 1.1555 | RDKit |
| Molar Refractivity | 45.12640000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.125 | RDKit |
| Exact Mass | 147.079647288 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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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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MW = 147.18 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C8H9N3.
