4-nitro-1H-indazol-7-amine

C7H6N4O2 — CID 21486272

IUPAC4-nitro-1H-indazol-7-amine
SMILESNc1ccc([N+](=O)[O-])c2cn[nH]c12
InChIInChI=1S/C7H6N4O2/c8-5-1-2-6(11(12)13)4-3-9-10-7(4)5/h1-3H,8H2,(H,9,10)
InChIKeyYDFVHJZKVFWLSI-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.05
Rot. Bonds1

About 4-nitro-1H-indazol-7-amine

4-nitro-1H-indazol-7-amine (PubChem CID 21486272) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 4-nitro-1H-indazol-7-amine.

Molecular Properties

Compound Name4-nitro-1H-indazol-7-amine
PubChem CID21486272
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name4-nitro-1H-indazol-7-amine
SMILESNc1ccc([N+](=O)[O-])c2cn[nH]c12
InChIInChI=1S/C7H6N4O2/c8-5-1-2-6(11(12)13)4-3-9-10-7(4)5/h1-3H,8H2,(H,9,10)
InChIKeyYDFVHJZKVFWLSI-UHFFFAOYSA-N
XLogP1.05
TPSA97.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-nitro-1H-indazol-7-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-nitro-1H-indazol-7-amine?
The IUPAC name of 4-nitro-1H-indazol-7-amine (CID 21486272) is 4-nitro-1H-indazol-7-amine.
What is the SMILES notation for 4-nitro-1H-indazol-7-amine?
The canonical SMILES for 4-nitro-1H-indazol-7-amine is Nc1ccc([N+](=O)[O-])c2cn[nH]c12.
What is the InChIKey of 4-nitro-1H-indazol-7-amine?
The InChIKey is YDFVHJZKVFWLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-5-1-2-6(11(12)13)4-3-9-10-7(4)5/h1-3H,8H2,(H,9,10).
What are the key properties of 4-nitro-1H-indazol-7-amine?
4-nitro-1H-indazol-7-amine has a molecular weight of 178.15 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-1H-indazol-7-amine is sourced from PubChem (CID 21486272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).