4-(1-benzyltriazol-4-yl)benzene-1,2-diol

C15H13N3O2 — CID 135986080

IUPAC4-(1-benzyltriazol-4-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cn(Cc3ccccc3)nn2)cc1O
InChIInChI=1S/C15H13N3O2/c19-14-7-6-12(8-15(14)20)13-10-18(17-16-13)9-11-4-2-1-3-5-11/h1-8,10,19-20H,9H2
InChIKeyYLZNTCAMAVOLAH-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.40
Rot. Bonds3

About 4-(1-benzyltriazol-4-yl)benzene-1,2-diol

4-(1-benzyltriazol-4-yl)benzene-1,2-diol (PubChem CID 135986080) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 4-(1-benzyltriazol-4-yl)benzene-1,2-diol.

Molecular Properties

Compound Name4-(1-benzyltriazol-4-yl)benzene-1,2-diol
PubChem CID135986080
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name4-(1-benzyltriazol-4-yl)benzene-1,2-diol
SMILESOc1ccc(-c2cn(Cc3ccccc3)nn2)cc1O
InChIInChI=1S/C15H13N3O2/c19-14-7-6-12(8-15(14)20)13-10-18(17-16-13)9-11-4-2-1-3-5-11/h1-8,10,19-20H,9H2
InChIKeyYLZNTCAMAVOLAH-UHFFFAOYSA-N
XLogP2.40
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 4-(1-benzyltriazol-4-yl)benzene-1,2-diol 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 4-(1-benzyltriazol-4-yl)benzene-1,2-diol?
The IUPAC name of 4-(1-benzyltriazol-4-yl)benzene-1,2-diol (CID 135986080) is 4-(1-benzyltriazol-4-yl)benzene-1,2-diol.
What is the SMILES notation for 4-(1-benzyltriazol-4-yl)benzene-1,2-diol?
The canonical SMILES for 4-(1-benzyltriazol-4-yl)benzene-1,2-diol is Oc1ccc(-c2cn(Cc3ccccc3)nn2)cc1O.
What is the InChIKey of 4-(1-benzyltriazol-4-yl)benzene-1,2-diol?
The InChIKey is YLZNTCAMAVOLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-14-7-6-12(8-15(14)20)13-10-18(17-16-13)9-11-4-2-1-3-5-11/h1-8,10,19-20H,9H2.
What are the key properties of 4-(1-benzyltriazol-4-yl)benzene-1,2-diol?
4-(1-benzyltriazol-4-yl)benzene-1,2-diol has a molecular weight of 267.29 g/mol, XLogP of 2.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzyltriazol-4-yl)benzene-1,2-diol is sourced from PubChem (CID 135986080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).