4-nitro-1H-indazole-6-carbohydrazide

C8H7N5O3 — CID 171066779

IUPAC4-nitro-1H-indazole-6-carbohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C8H7N5O3/c9-11-8(14)4-1-6-5(3-10-12-6)7(2-4)13(15)16/h1-3H,9H2,(H,10,12)(H,11,14)
InChIKeyJEHARDHURBECTO-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.07
Rot. Bonds2

About 4-nitro-1H-indazole-6-carbohydrazide

4-nitro-1H-indazole-6-carbohydrazide (PubChem CID 171066779) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-nitro-1H-indazole-6-carbohydrazide.

Molecular Properties

Compound Name4-nitro-1H-indazole-6-carbohydrazide
PubChem CID171066779
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name4-nitro-1H-indazole-6-carbohydrazide
SMILESNNC(=O)c1cc([N+](=O)[O-])c2cn[nH]c2c1
InChIInChI=1S/C8H7N5O3/c9-11-8(14)4-1-6-5(3-10-12-6)7(2-4)13(15)16/h1-3H,9H2,(H,10,12)(H,11,14)
InChIKeyJEHARDHURBECTO-UHFFFAOYSA-N
XLogP0.07
TPSA126.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-nitro-1H-indazole-6-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-1H-indazole-6-carboxamide
CID 171066795
4-nitro-1H-indazole-6-carboxylic acid
CID 24728271
methyl 4-nitro-1H-indazole-6-carboxylate
CID 24728064
4-methoxy-3,5-dinitrobenzohydrazide
CID 4298975
4-nitro-6-propan-2-yl-1H-indazole
CID 24729319
4-anilino-3,5-dinitrobenzohydrazide
CID 132593734
6-methyl-1H-indazole-4-carbohydrazide
CID 91582443
4-(cyclopentylamino)-3,5-dinitrobenzohydrazide
CID 132593891
4-chloro-3-nitrobenzohydrazide
CID 3704353
2-methyl-N-(4-methyl-1H-indazol-6-yl)-6-nitrobenzamide
CID 122150956
4-(2-methylanilino)-3,5-dinitrobenzohydrazide
CID 132593736
4-(3,5-dimethylanilino)-3,5-dinitrobenzohydrazide
CID 132593851

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1H-indazole-6-carbohydrazide?
The IUPAC name of 4-nitro-1H-indazole-6-carbohydrazide (CID 171066779) is 4-nitro-1H-indazole-6-carbohydrazide.
What is the SMILES notation for 4-nitro-1H-indazole-6-carbohydrazide?
The canonical SMILES for 4-nitro-1H-indazole-6-carbohydrazide is NNC(=O)c1cc([N+](=O)[O-])c2cn[nH]c2c1.
What is the InChIKey of 4-nitro-1H-indazole-6-carbohydrazide?
The InChIKey is JEHARDHURBECTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c9-11-8(14)4-1-6-5(3-10-12-6)7(2-4)13(15)16/h1-3H,9H2,(H,10,12)(H,11,14).
What are the key properties of 4-nitro-1H-indazole-6-carbohydrazide?
4-nitro-1H-indazole-6-carbohydrazide has a molecular weight of 221.18 g/mol, XLogP of 0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1H-indazole-6-carbohydrazide is sourced from PubChem (CID 171066779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).