2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol

C15H14F3N5O — CID 53391862

IUPAC2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(CCO)nc2n1
InChIInChI=1S/C15H14F3N5O/c1-9-8-13(23-14(19-9)21-12(22-23)6-7-24)20-11-4-2-10(3-5-11)15(16,17)18/h2-5,8,20,24H,6-7H2,1H3
InChIKeyLIAQMOCYAMEAAR-UHFFFAOYSA-N
MW337.31 g/mol
LogP2.73
Rot. Bonds4

About 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol

2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol (PubChem CID 53391862) has the molecular formula C15H14F3N5O and a molecular weight of 337.31 g/mol. Its IUPAC name is 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol
PubChem CID53391862
Molecular FormulaC15H14F3N5O
Molecular Weight337.31 g/mol
Exact Mass337.12
IUPAC Name2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol
SMILESCc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(CCO)nc2n1
InChIInChI=1S/C15H14F3N5O/c1-9-8-13(23-14(19-9)21-12(22-23)6-7-24)20-11-4-2-10(3-5-11)15(16,17)18/h2-5,8,20,24H,6-7H2,1H3
InChIKeyLIAQMOCYAMEAAR-UHFFFAOYSA-N
XLogP2.73
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol 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-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol?
The IUPAC name of 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol (CID 53391862) is 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol is Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(CCO)nc2n1.
What is the InChIKey of 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol?
The InChIKey is LIAQMOCYAMEAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N5O/c1-9-8-13(23-14(19-9)21-12(22-23)6-7-24)20-11-4-2-10(3-5-11)15(16,17)18/h2-5,8,20,24H,6-7H2,1H3.
What are the key properties of 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol?
2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol has a molecular weight of 337.31 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-7-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]ethanol is sourced from PubChem (CID 53391862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).