5-nitro-1-phenylindazol-3-amine

C13H10N4O2 — CID 24761590

IUPAC5-nitro-1-phenylindazol-3-amine
SMILESNc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H10N4O2/c14-13-11-8-10(17(18)19)6-7-12(11)16(15-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyINDGFGKXFJXUMW-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.52
Rot. Bonds2

About 5-nitro-1-phenylindazol-3-amine

5-nitro-1-phenylindazol-3-amine (PubChem CID 24761590) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 5-nitro-1-phenylindazol-3-amine.

Molecular Properties

Compound Name5-nitro-1-phenylindazol-3-amine
PubChem CID24761590
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name5-nitro-1-phenylindazol-3-amine
SMILESNc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12
InChIInChI=1S/C13H10N4O2/c14-13-11-8-10(17(18)19)6-7-12(11)16(15-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15)
InChIKeyINDGFGKXFJXUMW-UHFFFAOYSA-N
XLogP2.52
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-1-phenylindazol-3-amine?
The IUPAC name of 5-nitro-1-phenylindazol-3-amine (CID 24761590) is 5-nitro-1-phenylindazol-3-amine.
What is the SMILES notation for 5-nitro-1-phenylindazol-3-amine?
The canonical SMILES for 5-nitro-1-phenylindazol-3-amine is Nc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-1-phenylindazol-3-amine?
The InChIKey is INDGFGKXFJXUMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c14-13-11-8-10(17(18)19)6-7-12(11)16(15-13)9-4-2-1-3-5-9/h1-8H,(H2,14,15).
What are the key properties of 5-nitro-1-phenylindazol-3-amine?
5-nitro-1-phenylindazol-3-amine has a molecular weight of 254.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1-phenylindazol-3-amine is sourced from PubChem (CID 24761590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).