3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one

C17H13F3N4O2 — CID 70285916

IUPAC3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
SMILESCN1C(=O)c2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12
InChIInChI=1S/C17H13F3N4O2/c1-22-14-16(26)23(11-8-6-10(7-9-11)17(18,19)20)21-24(14)13-5-3-2-4-12(13)15(22)25/h2-9,21,26H,1H3
InChIKeyGOLDINKGRCSGQE-UHFFFAOYSA-N
MW362.31 g/mol
LogP3.22
Rot. Bonds1

About 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one

3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one (PubChem CID 70285916) has the molecular formula C17H13F3N4O2 and a molecular weight of 362.31 g/mol. Its IUPAC name is 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one.

Molecular Properties

Compound Name3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
PubChem CID70285916
Molecular FormulaC17H13F3N4O2
Molecular Weight362.31 g/mol
Exact Mass362.10
IUPAC Name3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one
SMILESCN1C(=O)c2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12
InChIInChI=1S/C17H13F3N4O2/c1-22-14-16(26)23(11-8-6-10(7-9-11)17(18,19)20)21-24(14)13-5-3-2-4-12(13)15(22)25/h2-9,21,26H,1H3
InChIKeyGOLDINKGRCSGQE-UHFFFAOYSA-N
XLogP3.22
TPSA59.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one 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-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one?
The IUPAC name of 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one (CID 70285916) is 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one.
What is the SMILES notation for 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one?
The canonical SMILES for 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one is CN1C(=O)c2ccccc2N2NN(c3ccc(C(F)(F)F)cc3)C(O)=C12.
What is the InChIKey of 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one?
The InChIKey is GOLDINKGRCSGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2/c1-22-14-16(26)23(11-8-6-10(7-9-11)17(18,19)20)21-24(14)13-5-3-2-4-12(13)15(22)25/h2-9,21,26H,1H3.
What are the key properties of 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one?
3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one has a molecular weight of 362.31 g/mol, XLogP of 3.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-methyl-2-[4-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazolin-5-one is sourced from PubChem (CID 70285916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).