6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

C11H9F3N4O — CID 17197906

IUPAC6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCC1CC(=O)c2cn3nc(C(F)(F)F)nc3nc2C1
InChIInChI=1S/C11H9F3N4O/c1-5-2-7-6(8(19)3-5)4-18-10(15-7)16-9(17-18)11(12,13)14/h4-5H,2-3H2,1H3
InChIKeyZWLQTDQYLPSLKI-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.91
Rot. Bonds

About 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one

6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 17197906) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID17197906
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCC1CC(=O)c2cn3nc(C(F)(F)F)nc3nc2C1
InChIInChI=1S/C11H9F3N4O/c1-5-2-7-6(8(19)3-5)4-18-10(15-7)16-9(17-18)11(12,13)14/h4-5H,2-3H2,1H3
InChIKeyZWLQTDQYLPSLKI-UHFFFAOYSA-N
XLogP1.91
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 1476963
2-(Cyanomethyl)-6-oxo-6,7,8,9-tetrahydropyrazolo[1,5-a]quinazoline-3-carbonitrile
CID 3759401
6,7,8,9-Tetrahydro-8,8-dimethyl-6-oxopyrazolo(1,5-a)quinazoline-3-carbonitrile
CID 1480426
1-(4,6-dimethylpyrimidin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-4-one
CID 1964183
1-[7-Methyl-2-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]ethanone
CID 2041236
2-methyl-6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 666897
8,8-dimethyl-2-(methylsulfanyl)-8,9-dihydro[1,2,4]triazolo[1,5-a]quinazolin-6(7H)-one
CID 1473220
6,6-dimethyl-2-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 1945094
6-phenyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 3161780
1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 4891357
6,6-dimethyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 1859050
2-Methyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 2029063

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 17197906) is 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is CC1CC(=O)c2cn3nc(C(F)(F)F)nc3nc2C1.
What is the InChIKey of 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is ZWLQTDQYLPSLKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-5-2-7-6(8(19)3-5)4-18-10(15-7)16-9(17-18)11(12,13)14/h4-5H,2-3H2,1H3.
What are the key properties of 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 270.21 g/mol, XLogP of 1.91, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(trifluoromethyl)-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 17197906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).