4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine

C7H8N4S — CID 12916134

IUPAC4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(C)n2nccc2n1
InChIInChI=1S/C7H8N4S/c1-5-9-7(12-2)10-6-3-4-8-11(5)6/h3-4H,1-2H3
InChIKeyJRNYBBVOWLHLSE-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.15
Rot. Bonds1

About 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine

4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine (PubChem CID 12916134) has the molecular formula C7H8N4S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine.

Molecular Properties

Compound Name4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
PubChem CID12916134
Molecular FormulaC7H8N4S
Molecular Weight180.24 g/mol
Exact Mass180.05
IUPAC Name4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine
SMILESCSc1nc(C)n2nccc2n1
InChIInChI=1S/C7H8N4S/c1-5-9-7(12-2)10-6-3-4-8-11(5)6/h3-4H,1-2H3
InChIKeyJRNYBBVOWLHLSE-UHFFFAOYSA-N
XLogP1.15
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The IUPAC name of 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine (CID 12916134) is 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine.
What is the SMILES notation for 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The canonical SMILES for 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine is CSc1nc(C)n2nccc2n1.
What is the InChIKey of 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
The InChIKey is JRNYBBVOWLHLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4S/c1-5-9-7(12-2)10-6-3-4-8-11(5)6/h3-4H,1-2H3.
What are the key properties of 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine?
4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine has a molecular weight of 180.24 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-methylsulfanylpyrazolo[1,5-a][1,3,5]triazine is sourced from PubChem (CID 12916134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).