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

C12H14N4OS — CID 1473220

IUPAC8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCSc1nc2ncc3c(n2n1)CC(C)(C)CC3=O
InChIInChI=1S/C12H14N4OS/c1-12(2)4-8-7(9(17)5-12)6-13-10-14-11(18-3)15-16(8)10/h6H,4-5H2,1-3H3
InChIKeyFLTKCPOMOPHZBJ-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.00
Rot. Bonds1

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

8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one (PubChem CID 1473220) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one.

Molecular Properties

Compound Name8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
PubChem CID1473220
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one
SMILESCSc1nc2ncc3c(n2n1)CC(C)(C)CC3=O
InChIInChI=1S/C12H14N4OS/c1-12(2)4-8-7(9(17)5-12)6-13-10-14-11(18-3)15-16(8)10/h6H,4-5H2,1-3H3
InChIKeyFLTKCPOMOPHZBJ-UHFFFAOYSA-N
XLogP2.00
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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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
6,6-dimethyl-2-(trifluoromethyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 1945094
2-(methylthio)-6-phenyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
CID 3161782
N-(7,7-dimethyl-5-oxo-5,6,7,8-tetrahydroquinazolin-2-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 1844484
1-(4,6-Dimethyl-pyrimidin-2-yl)-6-methyl-1,5,6,7-tetrahydro-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
2,6,6-trimethyl-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 666590
2-(trifluoromethyl)-8,9-dihydro-7H-[1,2,4]triazolo[1,5-a]quinazolin-6-one
CID 66505498
2-(methylsulfanyl)-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
CID 1847344

Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The IUPAC name of 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one (CID 1473220) is 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one.
What is the SMILES notation for 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The canonical SMILES for 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one is CSc1nc2ncc3c(n2n1)CC(C)(C)CC3=O.
What is the InChIKey of 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
The InChIKey is FLTKCPOMOPHZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-12(2)4-8-7(9(17)5-12)6-13-10-14-11(18-3)15-16(8)10/h6H,4-5H2,1-3H3.
What are the key properties of 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one?
8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one has a molecular weight of 262.34 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-2-methylsulfanyl-7,9-dihydro-[1,2,4]triazolo[1,5-a]quinazolin-6-one is sourced from PubChem (CID 1473220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).