5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C13H10F3N5O — CID 974686

IUPAC5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
InChIInChI=1S/C13H10F3N5O/c1-22-8-4-2-7(3-5-8)9-6-10(13(14,15)16)21-12(18-9)19-11(17)20-21/h2-6H,1H3,(H2,17,20)
InChIKeyWTAKILPHJPKHOL-UHFFFAOYSA-N
MW309.25 g/mol
LogP2.40
Rot. Bonds2

About 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 974686) has the molecular formula C13H10F3N5O and a molecular weight of 309.25 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID974686
Molecular FormulaC13H10F3N5O
Molecular Weight309.25 g/mol
Exact Mass309.08
IUPAC Name5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCOc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1
InChIInChI=1S/C13H10F3N5O/c1-22-8-4-2-7(3-5-8)9-6-10(13(14,15)16)21-12(18-9)19-11(17)20-21/h2-6H,1H3,(H2,17,20)
InChIKeyWTAKILPHJPKHOL-UHFFFAOYSA-N
XLogP2.40
TPSA78.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.25
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-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 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 974686) is 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is COc1ccc(-c2cc(C(F)(F)F)n3nc(N)nc3n2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is WTAKILPHJPKHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5O/c1-22-8-4-2-7(3-5-8)9-6-10(13(14,15)16)21-12(18-9)19-11(17)20-21/h2-6H,1H3,(H2,17,20).
What are the key properties of 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 309.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 974686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).