5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C11H12N6OS — CID 118594828

IUPAC5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCSc1nc2n(Cn3cccn3)c(C)cc(=O)n2n1
InChIInChI=1S/C11H12N6OS/c1-8-6-9(18)17-11(13-10(14-17)19-2)16(8)7-15-5-3-4-12-15/h3-6H,7H2,1-2H3
InChIKeyFNDAPORXRCTWKC-UHFFFAOYSA-N
MW276.32 g/mol
LogP0.62
Rot. Bonds3

About 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 118594828) has the molecular formula C11H12N6OS and a molecular weight of 276.32 g/mol. Its IUPAC name is 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID118594828
Molecular FormulaC11H12N6OS
Molecular Weight276.32 g/mol
Exact Mass276.08
IUPAC Name5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCSc1nc2n(Cn3cccn3)c(C)cc(=O)n2n1
InChIInChI=1S/C11H12N6OS/c1-8-6-9(18)17-11(13-10(14-17)19-2)16(8)7-15-5-3-4-12-15/h3-6H,7H2,1-2H3
InChIKeyFNDAPORXRCTWKC-UHFFFAOYSA-N
XLogP0.62
TPSA70.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

5-Methyl-2-methylsulfanyl-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 118594829
5-Methyl-2-methylsulfanyl-4-(1,2,4-triazol-1-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 118594825
5-Methyl-4-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 118594836
2-[(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136155646
2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]-4-methyl-1H-pyrimidin-6-one
CID 136291275

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 118594828) is 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CSc1nc2n(Cn3cccn3)c(C)cc(=O)n2n1.
What is the InChIKey of 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FNDAPORXRCTWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6OS/c1-8-6-9(18)17-11(13-10(14-17)19-2)16(8)7-15-5-3-4-12-15/h3-6H,7H2,1-2H3.
What are the key properties of 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 276.32 g/mol, XLogP of 0.62, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-methylsulfanyl-4-(pyrazol-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 118594828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).