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1H-Indazol-5-Amine
CAS: 19335-11-6 | C7H7N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19335-11-6
Molecular Formula:
C7H7N3
Molecular Mass:
133.15 g/mol
Names and Synonyms:
1H-Indazol-5-Amine
1H-Indazol-5-amine
1H-Indazole, 5-amino-
5-Aminoindazole
5-Amino-1H-indazole
5-Indazolylamine
5-Indazolamine
5-Aminobenzopyrazole
1H-Indazol-5-ylamine
NSC 44676
AC 30454
Identifiers:
SMILES:
Nc1ccc2[nH]ncc2c1
InChI:
InChI=1S/C7H7N3/c8-6-1-2-7-5(3-6)4-9-10-7/h1-4H,8H2,(H,9,10)
Key Properties
Melting Point
175-178 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 133.15 g/mol | CAS Common Chemistry |
| 133.15400000000002 g/mol | RDKit | |
| 133.063997224 g/mol | RDKit | |
| 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 |
| LogP | 1.1451 | RDKit |
| Molar Refractivity | 40.506099999999996 | RDKit |
