3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

C19H13F3N4O — CID 66849312

IUPAC3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)cn2c(-c3ccccc3)nnc12
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)27-15-8-6-12(7-9-15)14-10-16(23)18-25-24-17(26(18)11-14)13-4-2-1-3-5-13/h1-11H,23H2
InChIKeyNGCFFPJVUDEBBY-UHFFFAOYSA-N
MW370.33 g/mol
LogP4.54
Rot. Bonds3

About 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine

3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (PubChem CID 66849312) has the molecular formula C19H13F3N4O and a molecular weight of 370.33 g/mol. Its IUPAC name is 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.

Molecular Properties

Compound Name3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
PubChem CID66849312
Molecular FormulaC19H13F3N4O
Molecular Weight370.33 g/mol
Exact Mass370.10
IUPAC Name3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
SMILESNc1cc(-c2ccc(OC(F)(F)F)cc2)cn2c(-c3ccccc3)nnc12
InChIInChI=1S/C19H13F3N4O/c20-19(21,22)27-15-8-6-12(7-9-15)14-10-16(23)18-25-24-17(26(18)11-14)13-4-2-1-3-5-13/h1-11H,23H2
InChIKeyNGCFFPJVUDEBBY-UHFFFAOYSA-N
XLogP4.54
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.33
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-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-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The IUPAC name of 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine (CID 66849312) is 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine.
What is the SMILES notation for 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The canonical SMILES for 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is Nc1cc(-c2ccc(OC(F)(F)F)cc2)cn2c(-c3ccccc3)nnc12.
What is the InChIKey of 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
The InChIKey is NGCFFPJVUDEBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N4O/c20-19(21,22)27-15-8-6-12(7-9-15)14-10-16(23)18-25-24-17(26(18)11-14)13-4-2-1-3-5-13/h1-11H,23H2.
What are the key properties of 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine?
3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine has a molecular weight of 370.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine is sourced from PubChem (CID 66849312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).