2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C12H16N6O2S — CID 75393963

IUPAC2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNc1snc(C)c1C(=O)N1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C12H16N6O2S/c1-7-9(10(13-2)21-15-7)11(19)17-4-5-18-8(6-17)14-16(3)12(18)20/h13H,4-6H2,1-3H3
InChIKeyTZBPKHYPCRDUJB-UHFFFAOYSA-N
MW308.37 g/mol
LogP0.04
Rot. Bonds2

About 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 75393963) has the molecular formula C12H16N6O2S and a molecular weight of 308.37 g/mol. Its IUPAC name is 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID75393963
Molecular FormulaC12H16N6O2S
Molecular Weight308.37 g/mol
Exact Mass308.11
IUPAC Name2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCNc1snc(C)c1C(=O)N1CCn2c(nn(C)c2=O)C1
InChIInChI=1S/C12H16N6O2S/c1-7-9(10(13-2)21-15-7)11(19)17-4-5-18-8(6-17)14-16(3)12(18)20/h13H,4-6H2,1-3H3
InChIKeyTZBPKHYPCRDUJB-UHFFFAOYSA-N
XLogP0.04
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 75393963) is 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is CNc1snc(C)c1C(=O)N1CCn2c(nn(C)c2=O)C1.
What is the InChIKey of 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is TZBPKHYPCRDUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O2S/c1-7-9(10(13-2)21-15-7)11(19)17-4-5-18-8(6-17)14-16(3)12(18)20/h13H,4-6H2,1-3H3.
What are the key properties of 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 308.37 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[3-methyl-5-(methylamino)-1,2-thiazole-4-carbonyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 75393963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).