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

C12H11F3N4O — CID 66505586

IUPAC8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1(C)CC(=O)c2cnc3nc(C(F)(F)F)nn3c2C1
InChIInChI=1S/C12H11F3N4O/c1-11(2)3-7-6(8(20)4-11)5-16-10-17-9(12(13,14)15)18-19(7)10/h5H,3-4H2,1-2H3
InChIKeyVIKVGNDJOGQDTF-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.30
Rot. Bonds

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

8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 66505586) has the molecular formula C12H11F3N4O and a molecular weight of 284.24 g/mol. Its IUPAC name is 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID66505586
Molecular FormulaC12H11F3N4O
Molecular Weight284.24 g/mol
Exact Mass284.09
IUPAC Name8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1(C)CC(=O)c2cnc3nc(C(F)(F)F)nn3c2C1
InChIInChI=1S/C12H11F3N4O/c1-11(2)3-7-6(8(20)4-11)5-16-10-17-9(12(13,14)15)18-19(7)10/h5H,3-4H2,1-2H3
InChIKeyVIKVGNDJOGQDTF-UHFFFAOYSA-N
XLogP2.30
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 66505586) is 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CC1(C)CC(=O)c2cnc3nc(C(F)(F)F)nn3c2C1.
What is the InChIKey of 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is VIKVGNDJOGQDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O/c1-11(2)3-7-6(8(20)4-11)5-16-10-17-9(12(13,14)15)18-19(7)10/h5H,3-4H2,1-2H3.
What are the key properties of 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 284.24 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-(trifluoromethyl)-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 66505586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).