7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

C7H8N4OS — CID 137241307

IUPAC7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCSc1nc2cc(C)nn2c(=O)[nH]1
InChIInChI=1S/C7H8N4OS/c1-4-3-5-8-6(13-2)9-7(12)11(5)10-4/h3H,1-2H3,(H,8,9,12)
InChIKeyLSKMPNYWVQBTMT-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.45
Rot. Bonds1

About 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one

7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (PubChem CID 137241307) has the molecular formula C7H8N4OS and a molecular weight of 196.23 g/mol. Its IUPAC name is 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
PubChem CID137241307
Molecular FormulaC7H8N4OS
Molecular Weight196.23 g/mol
Exact Mass196.04
IUPAC Name7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
SMILESCSc1nc2cc(C)nn2c(=O)[nH]1
InChIInChI=1S/C7H8N4OS/c1-4-3-5-8-6(13-2)9-7(12)11(5)10-4/h3H,1-2H3,(H,8,9,12)
InChIKeyLSKMPNYWVQBTMT-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

Analyze 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-dimethyl-1H-pyrazol-5-yl)-N'-methylurea
CID 2818773
4-butylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135540437
4-ethylimino-7-methyl-1H-pyrazolo[1,5-c][1,3,5]thiadiazin-2-one
CID 135477884
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135415381
7-Methylpyrazolo[1,5-a][1,3,5]triazine-2,4-diol
CID 136219281
4-Amino-7-Methylpyrazolo[1,5-A][1,3,5]triazin-2(1h)-One
CID 135475085
7-Methylpyrazolo[1,5-A][1,3,5]triazin-4(3H)-one
CID 135443548
2-methylsulfanyl-7-(trifluoromethyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 157027010
3-Hydroxy-7-methyl-2-(2,2,2-trifluoroethylsulfanyl)pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 171806827
7-methyl-2-(2,2,2-trifluoroethylsulfanyl)-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 171807000
5-Amino-3-methylpyrazole-1-carboxamide
CID 296432
(2,5-Dimethylpyrazol-3-yl)urea
CID 16783771

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The IUPAC name of 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one (CID 137241307) is 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one.
What is the SMILES notation for 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The canonical SMILES for 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is CSc1nc2cc(C)nn2c(=O)[nH]1.
What is the InChIKey of 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
The InChIKey is LSKMPNYWVQBTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4OS/c1-4-3-5-8-6(13-2)9-7(12)11(5)10-4/h3H,1-2H3,(H,8,9,12).
What are the key properties of 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one?
7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]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 7-methyl-2-methylsulfanyl-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one is sourced from PubChem (CID 137241307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).