4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole

C14H13N3 — CID 134550866

IUPAC4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole
SMILESC1=CC(n2cnnc2-c2ccccc2)=CCC1
InChIInChI=1S/C14H13N3/c1-3-7-12(8-4-1)14-16-15-11-17(14)13-9-5-2-6-10-13/h1,3-5,7-11H,2,6H2
InChIKeyIJOZYZKXGUHEEO-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.14
Rot. Bonds2

About 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole

4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole (PubChem CID 134550866) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole
PubChem CID134550866
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole
SMILESC1=CC(n2cnnc2-c2ccccc2)=CCC1
InChIInChI=1S/C14H13N3/c1-3-7-12(8-4-1)14-16-15-11-17(14)13-9-5-2-6-10-13/h1,3-5,7-11H,2,6H2
InChIKeyIJOZYZKXGUHEEO-UHFFFAOYSA-N
XLogP3.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-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

cyclohexa-1,5-dien-1-ylbenzene;methane
CID 156791104
2-(3-cyclohexa-1,5-dien-1-yl-5-phenyltetrazol-2-ium-2-yl)-4,5-dimethyl-1,3-thiazole
CID 71021610
3-phenyl-4-(1-phenylethyl)-1,2,4-triazole
CID 141287067
1-cyclohexa-1,5-dien-1-yl-2-(4-phenyl-2-pyridinyl)benzimidazole
CID 166885806
4-hydroxy-3,5-diphenyl-1,2,4-triazole
CID 14382453
3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115393385
2-[4-[9,10-bis(3,5-diphenylphenyl)anthracen-2-yl]phenyl]-1-cyclohexa-1,5-dien-1-ylbenzimidazole
CID 146493059
9-cyclohexa-1,5-dien-1-yl-4-(4,6-diphenyl-1,3,5-triazin-2-yl)carbazole
CID 144955832
1-cyclohexa-1,5-dien-1-yl-4-methylimidazole
CID 141359437
3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
1-cyclohexa-1,5-dien-1-yl-2-[4-[2-[3-[2-[4-(1-phenylimidazol-2-yl)phenyl]phenyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]phenyl]imidazole
CID 142438918
1-cyclohexa-1,5-dien-1-yltriazole
CID 175248271

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole?
The IUPAC name of 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole (CID 134550866) is 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole.
What is the SMILES notation for 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole?
The canonical SMILES for 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole is C1=CC(n2cnnc2-c2ccccc2)=CCC1.
What is the InChIKey of 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole?
The InChIKey is IJOZYZKXGUHEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-3-7-12(8-4-1)14-16-15-11-17(14)13-9-5-2-6-10-13/h1,3-5,7-11H,2,6H2.
What are the key properties of 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole?
4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole has a molecular weight of 223.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexa-1,5-dien-1-yl-3-phenyl-1,2,4-triazole is sourced from PubChem (CID 134550866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).