3-methyl-2-phenylindazol-6-amine

C14H13N3 — CID 153163357

IUPAC3-methyl-2-phenylindazol-6-amine
SMILESCc1c2ccc(N)cc2nn1-c1ccccc1
InChIInChI=1S/C14H13N3/c1-10-13-8-7-11(15)9-14(13)16-17(10)12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyWCTWCMHVBVDJOE-UHFFFAOYSA-N
MW223.28 g/mol
LogP2.92
Rot. Bonds1

About 3-methyl-2-phenylindazol-6-amine

3-methyl-2-phenylindazol-6-amine (PubChem CID 153163357) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methyl-2-phenylindazol-6-amine.

Molecular Properties

Compound Name3-methyl-2-phenylindazol-6-amine
PubChem CID153163357
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name3-methyl-2-phenylindazol-6-amine
SMILESCc1c2ccc(N)cc2nn1-c1ccccc1
InChIInChI=1S/C14H13N3/c1-10-13-8-7-11(15)9-14(13)16-17(10)12-5-3-2-4-6-12/h2-9H,15H2,1H3
InChIKeyWCTWCMHVBVDJOE-UHFFFAOYSA-N
XLogP2.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-2-phenylindazol-6-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 3-methyl-2-phenylindazol-6-amine?
The IUPAC name of 3-methyl-2-phenylindazol-6-amine (CID 153163357) is 3-methyl-2-phenylindazol-6-amine.
What is the SMILES notation for 3-methyl-2-phenylindazol-6-amine?
The canonical SMILES for 3-methyl-2-phenylindazol-6-amine is Cc1c2ccc(N)cc2nn1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenylindazol-6-amine?
The InChIKey is WCTWCMHVBVDJOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-13-8-7-11(15)9-14(13)16-17(10)12-5-3-2-4-6-12/h2-9H,15H2,1H3.
What are the key properties of 3-methyl-2-phenylindazol-6-amine?
3-methyl-2-phenylindazol-6-amine has a molecular weight of 223.28 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenylindazol-6-amine is sourced from PubChem (CID 153163357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).