8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

C11H9F3N4O — CID 66505620

IUPAC8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1CC(=O)c2cnc3nc(C(F)(F)F)nn3c2C1
InChIInChI=1S/C11H9F3N4O/c1-5-2-7-6(8(19)3-5)4-15-10-16-9(11(12,13)14)17-18(7)10/h4-5H,2-3H2,1H3
InChIKeySRRIWDIJAGXHSJ-UHFFFAOYSA-N
MW270.21 g/mol
LogP1.91
Rot. Bonds

About 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one

8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505620) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505620
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC Name8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1CC(=O)c2cnc3nc(C(F)(F)F)nn3c2C1
InChIInChI=1S/C11H9F3N4O/c1-5-2-7-6(8(19)3-5)4-15-10-16-9(11(12,13)14)17-18(7)10/h4-5H,2-3H2,1H3
InChIKeySRRIWDIJAGXHSJ-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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505620) is 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CC1CC(=O)c2cnc3nc(C(F)(F)F)nn3c2C1.
What is the InChIKey of 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is SRRIWDIJAGXHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c1-5-2-7-6(8(19)3-5)4-15-10-16-9(11(12,13)14)17-18(7)10/h4-5H,2-3H2,1H3.
What are the key properties of 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-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 8-methyl-2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).