5-nitro-1H-indazol-3-amine

C7H6N4O2 — CID 3136655

IUPAC5-nitro-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C7H6N4O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H3,8,9,10)
InChIKeySWZRTDLKPZAFDT-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.05
Rot. Bonds1

About 5-nitro-1H-indazol-3-amine

5-nitro-1H-indazol-3-amine (PubChem CID 3136655) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 5-nitro-1H-indazol-3-amine.

Molecular Properties

Compound Name5-nitro-1H-indazol-3-amine
PubChem CID3136655
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name5-nitro-1H-indazol-3-amine
SMILESNc1n[nH]c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C7H6N4O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H3,8,9,10)
InChIKeySWZRTDLKPZAFDT-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-1H-indazol-3-amine?
The IUPAC name of 5-nitro-1H-indazol-3-amine (CID 3136655) is 5-nitro-1H-indazol-3-amine.
What is the SMILES notation for 5-nitro-1H-indazol-3-amine?
The canonical SMILES for 5-nitro-1H-indazol-3-amine is Nc1n[nH]c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-1H-indazol-3-amine?
The InChIKey is SWZRTDLKPZAFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H3,8,9,10).
What are the key properties of 5-nitro-1H-indazol-3-amine?
5-nitro-1H-indazol-3-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 5-nitro-1H-indazol-3-amine is sourced from PubChem (CID 3136655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).