2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one

C15H10ClF3N4O — CID 3519223

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one
SMILESCc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccccc1
InChIInChI=1S/C15H10ClF3N4O/c1-9-21-23(14(24)22(9)11-5-3-2-4-6-11)13-12(16)7-10(8-20-13)15(17,18)19/h2-8H,1H3
InChIKeyUCAZHFOVYQVBLU-UHFFFAOYSA-N
MW354.72 g/mol
LogP3.40
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one (PubChem CID 3519223) has the molecular formula C15H10ClF3N4O and a molecular weight of 354.72 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one
PubChem CID3519223
Molecular FormulaC15H10ClF3N4O
Molecular Weight354.72 g/mol
Exact Mass354.05
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one
SMILESCc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccccc1
InChIInChI=1S/C15H10ClF3N4O/c1-9-21-23(14(24)22(9)11-5-3-2-4-6-11)13-12(16)7-10(8-20-13)15(17,18)19/h2-8H,1H3
InChIKeyUCAZHFOVYQVBLU-UHFFFAOYSA-N
XLogP3.40
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.72
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one 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 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one (CID 3519223) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one is Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccccc1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one?
The InChIKey is UCAZHFOVYQVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF3N4O/c1-9-21-23(14(24)22(9)11-5-3-2-4-6-11)13-12(16)7-10(8-20-13)15(17,18)19/h2-8H,1H3.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one has a molecular weight of 354.72 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-methyl-4-phenyl-1,2,4-triazol-3-one is sourced from PubChem (CID 3519223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).