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

C11H12N4O — CID 1476966

IUPAC8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1(C)CC(=O)c2cnc3ncnn3c2C1
InChIInChI=1S/C11H12N4O/c1-11(2)3-8-7(9(16)4-11)5-12-10-13-6-14-15(8)10/h5-6H,3-4H2,1-2H3
InChIKeyFYAVBLYWEOYYAU-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.28
Rot. Bonds

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

8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 1476966) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID1476966
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCC1(C)CC(=O)c2cnc3ncnn3c2C1
InChIInChI=1S/C11H12N4O/c1-11(2)3-8-7(9(16)4-11)5-12-10-13-6-14-15(8)10/h5-6H,3-4H2,1-2H3
InChIKeyFYAVBLYWEOYYAU-UHFFFAOYSA-N
XLogP1.28
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
2-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
CID 2772366
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
7-Bromo-3,6,6-trimethyl-1-pyrimidin-4-yl-5,7-dihydroindazol-4-one
CID 162660183
1-(4,6-dimethylpyrimidin-2-yl)-6-methyl-6,7-dihydro-5H-indazol-4-one
CID 4891357
1-(7-Methyl(1,2,4)triazolo(1,5-a)pyrimidin-6-yl)ethanone
CID 1480410

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 1476966) is 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CC1(C)CC(=O)c2cnc3ncnn3c2C1.
What is the InChIKey of 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is FYAVBLYWEOYYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-11(2)3-8-7(9(16)4-11)5-12-10-13-6-14-15(8)10/h5-6H,3-4H2,1-2H3.
What are the key properties of 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 216.24 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 1476966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).