(4,5-diphenyltriazol-1-yl)methanol

C15H13N3O — CID 174976406

IUPAC(4,5-diphenyltriazol-1-yl)methanol
SMILESOCn1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C15H13N3O/c19-11-18-15(13-9-5-2-6-10-13)14(16-17-18)12-7-3-1-4-8-12/h1-10,19H,11H2
InChIKeyCFDJEGNDTVFJMQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds3

About (4,5-diphenyltriazol-1-yl)methanol

(4,5-diphenyltriazol-1-yl)methanol (PubChem CID 174976406) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (4,5-diphenyltriazol-1-yl)methanol.

Molecular Properties

Compound Name(4,5-diphenyltriazol-1-yl)methanol
PubChem CID174976406
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(4,5-diphenyltriazol-1-yl)methanol
SMILESOCn1nnc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C15H13N3O/c19-11-18-15(13-9-5-2-6-10-13)14(16-17-18)12-7-3-1-4-8-12/h1-10,19H,11H2
InChIKeyCFDJEGNDTVFJMQ-UHFFFAOYSA-N
XLogP2.56
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4,5-diphenyltriazol-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4,5-diphenyltriazol-1-yl)octanoic acid
CID 22916407
2-(4,5-diphenyltriazol-1-yl)-N-methylacetamide
CID 59363214
1-benzyl-5-(4-fluorophenyl)-4-phenyltriazole
CID 139239898
benzyl 2-(4,5-diphenyltriazol-1-yl)acetate
CID 59363132
tert-butyl 2-(5-phenyl-4-pyridin-4-yltriazol-1-yl)acetate
CID 134313439
ethyl 2-[5-[3-(2-ethoxy-2-oxoethyl)-5-phenyltriazol-4-yl]-4-phenyltriazol-1-yl]acetate
CID 102307382
2-(4-methyl-5-phenyltriazol-1-yl)ethanol
CID 18726601
1-heptyl-5-(4-methoxyphenyl)-4-phenyltriazole
CID 102087796
1-cyclohexyl-4,5-diphenyltriazole
CID 165349356
3-(3-hydroxypropyl)-5-phenyltriazole-4-carbonitrile
CID 136572145
1-benzyl-5-(2-methylphenyl)-4-phenyltriazole
CID 101446629
1-benzyl-5-naphthalen-1-yl-4-phenyltriazole
CID 102474946

Frequently Asked Questions

What is the IUPAC name of (4,5-diphenyltriazol-1-yl)methanol?
The IUPAC name of (4,5-diphenyltriazol-1-yl)methanol (CID 174976406) is (4,5-diphenyltriazol-1-yl)methanol.
What is the SMILES notation for (4,5-diphenyltriazol-1-yl)methanol?
The canonical SMILES for (4,5-diphenyltriazol-1-yl)methanol is OCn1nnc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of (4,5-diphenyltriazol-1-yl)methanol?
The InChIKey is CFDJEGNDTVFJMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c19-11-18-15(13-9-5-2-6-10-13)14(16-17-18)12-7-3-1-4-8-12/h1-10,19H,11H2.
What are the key properties of (4,5-diphenyltriazol-1-yl)methanol?
(4,5-diphenyltriazol-1-yl)methanol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-diphenyltriazol-1-yl)methanol is sourced from PubChem (CID 174976406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).