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

C11H12N4OS — CID 17228097

IUPAC6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCSc1nc2nc3c(cn2n1)C(=O)CC(C)C3
InChIInChI=1S/C11H12N4OS/c1-6-3-8-7(9(16)4-6)5-15-10(12-8)13-11(14-15)17-2/h5-6H,3-4H2,1-2H3
InChIKeyCSOZUTGWVDLKQK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.61
Rot. Bonds1

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

6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (PubChem CID 17228097) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.

Molecular Properties

Compound Name6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
PubChem CID17228097
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one
SMILESCSc1nc2nc3c(cn2n1)C(=O)CC(C)C3
InChIInChI=1S/C11H12N4OS/c1-6-3-8-7(9(16)4-6)5-15-10(12-8)13-11(14-15)17-2/h5-6H,3-4H2,1-2H3
InChIKeyCSOZUTGWVDLKQK-UHFFFAOYSA-N
XLogP1.61
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The IUPAC name of 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one (CID 17228097) is 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one.
What is the SMILES notation for 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The canonical SMILES for 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is CSc1nc2nc3c(cn2n1)C(=O)CC(C)C3.
What is the InChIKey of 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
The InChIKey is CSOZUTGWVDLKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-3-8-7(9(16)4-6)5-15-10(12-8)13-11(14-15)17-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one?
6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one has a molecular weight of 248.31 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanyl-6,7-dihydro-5H-[1,2,4]triazolo[5,1-b]quinazolin-8-one is sourced from PubChem (CID 17228097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).