3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine

C15H12F3N5 — CID 155581353

IUPAC3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCc1cc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cnc1N
InChIInChI=1S/C15H12F3N5/c1-9-6-10(7-20-13(9)19)14-21-8-23(22-14)12-4-2-11(3-5-12)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyIIRRAAJDIFYBKM-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.24
Rot. Bonds2

About 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine

3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine (PubChem CID 155581353) has the molecular formula C15H12F3N5 and a molecular weight of 319.29 g/mol. Its IUPAC name is 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine
PubChem CID155581353
Molecular FormulaC15H12F3N5
Molecular Weight319.29 g/mol
Exact Mass319.10
IUPAC Name3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine
SMILESCc1cc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cnc1N
InChIInChI=1S/C15H12F3N5/c1-9-6-10(7-20-13(9)19)14-21-8-23(22-14)12-4-2-11(3-5-12)15(16,17)18/h2-8H,1H3,(H2,19,20)
InChIKeyIIRRAAJDIFYBKM-UHFFFAOYSA-N
XLogP3.24
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-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 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The IUPAC name of 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine (CID 155581353) is 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The canonical SMILES for 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine is Cc1cc(-c2ncn(-c3ccc(C(F)(F)F)cc3)n2)cnc1N.
What is the InChIKey of 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
The InChIKey is IIRRAAJDIFYBKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N5/c1-9-6-10(7-20-13(9)19)14-21-8-23(22-14)12-4-2-11(3-5-12)15(16,17)18/h2-8H,1H3,(H2,19,20).
What are the key properties of 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine?
3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine has a molecular weight of 319.29 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]pyridin-2-amine is sourced from PubChem (CID 155581353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).