4,5-diphenyl-2-(2-phenylethyl)triazole

C22H19N3 — CID 102048499

IUPAC4,5-diphenyl-2-(2-phenylethyl)triazole
SMILESc1ccc(CCn2nc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N3/c1-4-10-18(11-5-1)16-17-25-23-21(19-12-6-2-7-13-19)22(24-25)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyWZPUTCMKOKMCIF-UHFFFAOYSA-N
MW325.42 g/mol
LogP4.85
Rot. Bonds5

About 4,5-diphenyl-2-(2-phenylethyl)triazole

4,5-diphenyl-2-(2-phenylethyl)triazole (PubChem CID 102048499) has the molecular formula C22H19N3 and a molecular weight of 325.42 g/mol. Its IUPAC name is 4,5-diphenyl-2-(2-phenylethyl)triazole.

Molecular Properties

Compound Name4,5-diphenyl-2-(2-phenylethyl)triazole
PubChem CID102048499
Molecular FormulaC22H19N3
Molecular Weight325.42 g/mol
Exact Mass325.16
IUPAC Name4,5-diphenyl-2-(2-phenylethyl)triazole
SMILESc1ccc(CCn2nc(-c3ccccc3)c(-c3ccccc3)n2)cc1
InChIInChI=1S/C22H19N3/c1-4-10-18(11-5-1)16-17-25-23-21(19-12-6-2-7-13-19)22(24-25)20-14-8-3-9-15-20/h1-15H,16-17H2
InChIKeyWZPUTCMKOKMCIF-UHFFFAOYSA-N
XLogP4.85
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,5-diphenyl-2-(2-phenylethyl)triazole 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

7-(4,5-diphenyltriazol-2-yl)heptanoic acid
CID 71344331
2-[2-(4-chlorophenyl)ethyl]benzotriazole
CID 134867987
4,5-diphenyltriazol-2-amine
CID 14173575
benzene;2-phenylethylbenzene
CID 18982764
5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde
CID 86704012
5-(2-chlorophenyl)-2-(2-phenylethyl)tetrazole
CID 8685521
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
3-benzyl-5-phenyl-4-(2-phenylethyl)-1,2,4-triazole
CID 86058172
3-chloro-5-methyl-1-(2-phenylethyl)-1,2,4-triazole;hydrochloride
CID 52997057
4-methyl-5-phenyl-1-(2-phenylethyl)pyrazole
CID 13353365
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135
hafnium;2-phenylethylbenzene
CID 173109801

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-2-(2-phenylethyl)triazole?
The IUPAC name of 4,5-diphenyl-2-(2-phenylethyl)triazole (CID 102048499) is 4,5-diphenyl-2-(2-phenylethyl)triazole.
What is the SMILES notation for 4,5-diphenyl-2-(2-phenylethyl)triazole?
The canonical SMILES for 4,5-diphenyl-2-(2-phenylethyl)triazole is c1ccc(CCn2nc(-c3ccccc3)c(-c3ccccc3)n2)cc1.
What is the InChIKey of 4,5-diphenyl-2-(2-phenylethyl)triazole?
The InChIKey is WZPUTCMKOKMCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3/c1-4-10-18(11-5-1)16-17-25-23-21(19-12-6-2-7-13-19)22(24-25)20-14-8-3-9-15-20/h1-15H,16-17H2.
What are the key properties of 4,5-diphenyl-2-(2-phenylethyl)triazole?
4,5-diphenyl-2-(2-phenylethyl)triazole has a molecular weight of 325.42 g/mol, XLogP of 4.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenyl-2-(2-phenylethyl)triazole is sourced from PubChem (CID 102048499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).