3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole

C14H9Cl2N3 — CID 115393385

IUPAC3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
SMILESClc1cc(Cl)cc(-c2nncn2-c2ccccc2)c1
InChIInChI=1S/C14H9Cl2N3/c15-11-6-10(7-12(16)8-11)14-18-17-9-19(14)13-4-2-1-3-5-13/h1-9H
InChIKeyIZXDGJCLPBEKAQ-UHFFFAOYSA-N
MW290.15 g/mol
LogP4.24
Rot. Bonds2

About 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole

3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole (PubChem CID 115393385) has the molecular formula C14H9Cl2N3 and a molecular weight of 290.15 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
PubChem CID115393385
Molecular FormulaC14H9Cl2N3
Molecular Weight290.15 g/mol
Exact Mass289.02
IUPAC Name3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole
SMILESClc1cc(Cl)cc(-c2nncn2-c2ccccc2)c1
InChIInChI=1S/C14H9Cl2N3/c15-11-6-10(7-12(16)8-11)14-18-17-9-19(14)13-4-2-1-3-5-13/h1-9H
InChIKeyIZXDGJCLPBEKAQ-UHFFFAOYSA-N
XLogP4.24
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
3-(3,5-dimethoxyphenyl)-4-phenyl-1,2,4-triazole
CID 115393476
3-(5-chloro-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393449
5-chloro-2-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 62710247
2-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 106754498
3-(3-fluoro-5-nitrophenyl)-4-phenyl-1,2,4-triazole
CID 115393274
3-(2,3-dihydro-1-benzofuran-5-yl)-4-phenyl-1,2,4-triazole
CID 115393480
3-(5-bromo-2-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393323
3-(4,5-dibromothiophen-2-yl)-4-phenyl-1,2,4-triazole
CID 113300923
3-(3,5-dichlorophenyl)-4-ethyl-1,2,4-triazole
CID 115394797
1-methyl-4-(4-phenyl-1,2,4-triazol-3-yl)pyrazol-5-amine
CID 62709739
4-bromo-3-(4-phenyl-1,2,4-triazol-3-yl)aniline
CID 115297043

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole (CID 115393385) is 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole is Clc1cc(Cl)cc(-c2nncn2-c2ccccc2)c1.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole?
The InChIKey is IZXDGJCLPBEKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3/c15-11-6-10(7-12(16)8-11)14-18-17-9-19(14)13-4-2-1-3-5-13/h1-9H.
What are the key properties of 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole?
3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole has a molecular weight of 290.15 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-phenyl-1,2,4-triazole is sourced from PubChem (CID 115393385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).