2-(3-methoxyphenyl)benzotriazol-5-amine

C13H12N4O — CID 960734

IUPAC2-(3-methoxyphenyl)benzotriazol-5-amine
SMILESCOc1cccc(-n2nc3ccc(N)cc3n2)c1
InChIInChI=1S/C13H12N4O/c1-18-11-4-2-3-10(8-11)17-15-12-6-5-9(14)7-13(12)16-17/h2-8H,14H2,1H3
InChIKeyVCBQZIBASXFCRR-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.01
Rot. Bonds2

About 2-(3-methoxyphenyl)benzotriazol-5-amine

2-(3-methoxyphenyl)benzotriazol-5-amine (PubChem CID 960734) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)benzotriazol-5-amine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)benzotriazol-5-amine
PubChem CID960734
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name2-(3-methoxyphenyl)benzotriazol-5-amine
SMILESCOc1cccc(-n2nc3ccc(N)cc3n2)c1
InChIInChI=1S/C13H12N4O/c1-18-11-4-2-3-10(8-11)17-15-12-6-5-9(14)7-13(12)16-17/h2-8H,14H2,1H3
InChIKeyVCBQZIBASXFCRR-UHFFFAOYSA-N
XLogP2.01
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3-methoxyphenyl)benzotriazol-5-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 2-(3-methoxyphenyl)benzotriazol-5-amine?
The IUPAC name of 2-(3-methoxyphenyl)benzotriazol-5-amine (CID 960734) is 2-(3-methoxyphenyl)benzotriazol-5-amine.
What is the SMILES notation for 2-(3-methoxyphenyl)benzotriazol-5-amine?
The canonical SMILES for 2-(3-methoxyphenyl)benzotriazol-5-amine is COc1cccc(-n2nc3ccc(N)cc3n2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)benzotriazol-5-amine?
The InChIKey is VCBQZIBASXFCRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-11-4-2-3-10(8-11)17-15-12-6-5-9(14)7-13(12)16-17/h2-8H,14H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)benzotriazol-5-amine?
2-(3-methoxyphenyl)benzotriazol-5-amine has a molecular weight of 240.27 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)benzotriazol-5-amine is sourced from PubChem (CID 960734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).