4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

C16H12ClF3N4O — CID 10926720

IUPAC4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCOc1ccc(Cl)cc1-n1c(N)nnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N4O/c1-25-13-7-6-11(17)8-12(13)24-14(22-23-15(24)21)9-2-4-10(5-3-9)16(18,19)20/h2-8H,1H3,(H2,21,23)
InChIKeyIULOJCJDROCWHB-UHFFFAOYSA-N
MW368.75 g/mol
LogP4.20
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine

4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (PubChem CID 10926720) has the molecular formula C16H12ClF3N4O and a molecular weight of 368.75 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
PubChem CID10926720
Molecular FormulaC16H12ClF3N4O
Molecular Weight368.75 g/mol
Exact Mass368.07
IUPAC Name4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
SMILESCOc1ccc(Cl)cc1-n1c(N)nnc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12ClF3N4O/c1-25-13-7-6-11(17)8-12(13)24-14(22-23-15(24)21)9-2-4-10(5-3-9)16(18,19)20/h2-8H,1H3,(H2,21,23)
InChIKeyIULOJCJDROCWHB-UHFFFAOYSA-N
XLogP4.20
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.75
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine 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 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine (CID 10926720) is 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is COc1ccc(Cl)cc1-n1c(N)nnc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
The InChIKey is IULOJCJDROCWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3N4O/c1-25-13-7-6-11(17)8-12(13)24-14(22-23-15(24)21)9-2-4-10(5-3-9)16(18,19)20/h2-8H,1H3,(H2,21,23).
What are the key properties of 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine?
4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine has a molecular weight of 368.75 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine is sourced from PubChem (CID 10926720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).