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Molecule
3-Methyl-1H-Indazol-5-Amine
CAS: 90764-90-2 · C8H9N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 90764-90-2
- Molecular Formula
- C8H9N3
- Molecular Mass
- 147.18 g/mol
Identifiers
CAS Registry Number
90764-90-2
SMILES
Cc1[nH]nc2ccc(N)cc12
InChI Key
HQMYDRGGBUKAKP-UHFFFAOYSA-N
InChI
InChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11)
Names and Synonyms
- 3-Methyl-1H-Indazol-5-Amine Synonym
- 1H-Indazol-5-amine, 3-methyl- Synonym
- 1H-Indazole, 5-amino-3-methyl- Synonym
- 3-Methyl-1H-indazol-5-amine Synonym
- 5-Amino-3-methylindazole Synonym
- (3-Methyl-1H-indazol-5-yl)amine Synonym
- 5-Amino-3-methyl-1H-indazole Synonym
- 3-Methyl-2H-indazol-5-amine Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 147.18 g/mol | CAS Common Chemistry |
| 147.18099999999998 g/mol | RDKit | |
| 147.181 g/mol | RDKit | |
| 148.189 g/mol | chempirical lib | |
| Canonical SMILES | N=1NC=2C=CC(N)=CC2C1C | CAS Common Chemistry |
| InChI | InChI=1S/C8H9N3/c1-5-7-4-6(9)2-3-8(7)11-10-5/h2-4H,9H2,1H3,(H,10,11) | CAS Common Chemistry |
| InChI Key | InChIKey=HQMYDRGGBUKAKP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 232-233 °C | CAS Common Chemistry |
| Name | 3-Methyl-1H-indazol-5-amine | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 54.7 Ų | RDKit |
| 50.38 Ų | chempirical lib | |
| LogP | 1.45352 | RDKit |
| 1.4535 | RDKit | |
| Molar Refractivity | 45.24310000000001 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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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.
