6-(3-aminophenyl)-1H-indazol-3-amine

C13H12N4 — CID 11514099

IUPAC6-(3-aminophenyl)-1H-indazol-3-amine
SMILESNc1cccc(-c2ccc3c(N)n[nH]c3c2)c1
InChIInChI=1S/C13H12N4/c14-10-3-1-2-8(6-10)9-4-5-11-12(7-9)16-17-13(11)15/h1-7H,14H2,(H3,15,16,17)
InChIKeyUAKMDPJLEZPBAJ-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.39
Rot. Bonds1

About 6-(3-aminophenyl)-1H-indazol-3-amine

6-(3-aminophenyl)-1H-indazol-3-amine (PubChem CID 11514099) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 6-(3-aminophenyl)-1H-indazol-3-amine.

Molecular Properties

Compound Name6-(3-aminophenyl)-1H-indazol-3-amine
PubChem CID11514099
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name6-(3-aminophenyl)-1H-indazol-3-amine
SMILESNc1cccc(-c2ccc3c(N)n[nH]c3c2)c1
InChIInChI=1S/C13H12N4/c14-10-3-1-2-8(6-10)9-4-5-11-12(7-9)16-17-13(11)15/h1-7H,14H2,(H3,15,16,17)
InChIKeyUAKMDPJLEZPBAJ-UHFFFAOYSA-N
XLogP2.39
TPSA80.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-1H-indazol-3-amine?
The IUPAC name of 6-(3-aminophenyl)-1H-indazol-3-amine (CID 11514099) is 6-(3-aminophenyl)-1H-indazol-3-amine.
What is the SMILES notation for 6-(3-aminophenyl)-1H-indazol-3-amine?
The canonical SMILES for 6-(3-aminophenyl)-1H-indazol-3-amine is Nc1cccc(-c2ccc3c(N)n[nH]c3c2)c1.
What is the InChIKey of 6-(3-aminophenyl)-1H-indazol-3-amine?
The InChIKey is UAKMDPJLEZPBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c14-10-3-1-2-8(6-10)9-4-5-11-12(7-9)16-17-13(11)15/h1-7H,14H2,(H3,15,16,17).
What are the key properties of 6-(3-aminophenyl)-1H-indazol-3-amine?
6-(3-aminophenyl)-1H-indazol-3-amine has a molecular weight of 224.27 g/mol, XLogP of 2.39, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-1H-indazol-3-amine is sourced from PubChem (CID 11514099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).