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Molecule
1H-Indazol-5-Amine
CAS: 19335-11-6 · C7H7N3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 19335-11-6
- Molecular Formula
- C7H7N3
- Molecular Mass
- 133.15 g/mol
Identifiers
CAS Registry Number
19335-11-6
SMILES
Nc1ccc2[nH]ncc2c1
InChI Key
XBTOSRUBOXQWBO-UHFFFAOYSA-N
InChI
InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
Names and Synonyms
- 1H-Indazol-5-Amine Systematic Name
- 1H-Indazol-5-amine Synonym
- 1H-Indazole, 5-amino- Synonym
- 5-Aminoindazole Synonym
- 5-Amino-1H-indazole Synonym
- 5-Indazolylamine Synonym
- 5-Indazolamine Synonym
- 5-Aminobenzopyrazole Synonym
- 1H-Indazol-5-ylamine Synonym
- NSC 44676 Synonym
- AC 30454 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.15 g/mol | CAS Common Chemistry |
| 133.15400000000002 g/mol | RDKit | |
| 133.154 g/mol | RDKit | |
| 134.162 g/mol | chempirical lib | |
| Canonical SMILES | N1=CC=2C=C(N)C=CC2N1 | CAS Common Chemistry |
| InChI | InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=XBTOSRUBOXQWBO-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 175-178 °C | CAS Common Chemistry |
| Name | 1H-Indazol-5-amine | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | 1.1451 | RDKit |
| Molar Refractivity | 40.506099999999996 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 133.063997224 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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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 = 133.15 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C7H7N3.
