2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

C7H8N4OS — CID 2743508

IUPAC2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCSc1n[nH]c(=O)c2cc(C)nn12
InChIInChI=1S/C7H8N4OS/c1-4-3-5-6(12)8-9-7(13-2)11(5)10-4/h3H,1-2H3,(H,8,12)
InChIKeyVWWRTJOHMWMURW-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.45
Rot. Bonds1

About 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one

2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 2743508) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID2743508
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCSc1n[nH]c(=O)c2cc(C)nn12
InChIInChI=1S/C7H8N4OS/c1-4-3-5-6(12)8-9-7(13-2)11(5)10-4/h3H,1-2H3,(H,8,12)
InChIKeyVWWRTJOHMWMURW-UHFFFAOYSA-N
XLogP0.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one (CID 2743508) is 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is CSc1n[nH]c(=O)c2cc(C)nn12.
What is the InChIKey of 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is VWWRTJOHMWMURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4-3-5-6(12)8-9-7(13-2)11(5)10-4/h3H,1-2H3,(H,8,12).
What are the key properties of 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one?
2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 196.23 g/mol, XLogP of 0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylsulfanyl-5H-pyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 2743508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).