2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one

C6H6N4OS — CID 1132923

IUPAC2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1cc2c(=O)[nH][nH]c(=S)n2n1
InChIInChI=1S/C6H6N4OS/c1-3-2-4-5(11)7-8-6(12)10(4)9-3/h2H,1H3,(H,7,11)(H,8,12)
InChIKeyUYLOFYWUZSKRDM-UHFFFAOYSA-N
MW182.21 g/mol
LogP0.39
Rot. Bonds

About 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one

2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one (PubChem CID 1132923) has the molecular formula C6H6N4OS and a molecular weight of 182.21 g/mol. Its IUPAC name is 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one.

Molecular Properties

Compound Name2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
PubChem CID1132923
Molecular FormulaC6H6N4OS
Molecular Weight182.21 g/mol
Exact Mass182.03
IUPAC Name2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one
SMILESCc1cc2c(=O)[nH][nH]c(=S)n2n1
InChIInChI=1S/C6H6N4OS/c1-3-2-4-5(11)7-8-6(12)10(4)9-3/h2H,1H3,(H,7,11)(H,8,12)
InChIKeyUYLOFYWUZSKRDM-UHFFFAOYSA-N
XLogP0.39
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-[(2-Ethyl-5-methylpyrazole-3-carbonyl)amino]-3-methylthiourea
CID 2744198
1-[(2,5-Dimethylpyrazole-3-carbonyl)amino]-3-methylthiourea
CID 843679
Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6-dimethyl-7,7-tetramethylene
CID 6427868
1-Ethyl-1-[[1-methyl-3-(trifluoromethyl)pyrazole-5-carbonyl]amino]thiourea
CID 22306011
2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-N-methylhydrazinecarbothioamide
CID 843840
[(1,5-Dimethylpyrazole-3-carbonyl)amino]thiourea
CID 2743334
Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,5,6,7,7-pentamethyl
CID 525324
Pyrazolo[1,5-d][1,2,4]triazin-3-one, 2,6,7,7-tetramethyl
CID 525326
1-[(1,5-Dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea
CID 1767213
1-Butyl-3-[(1,5-dimethylpyrazole-3-carbonyl)amino]thiourea
CID 4142595
1-[(2,5-Dimethylpyrazole-3-carbonyl)amino]-3-(2-methylpropyl)thiourea
CID 4246962
1-[(2,5-Dimethylpyrazole-3-carbonyl)amino]-3-ethylthiourea
CID 4293605

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one?
The IUPAC name of 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one (CID 1132923) is 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one.
What is the SMILES notation for 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one?
The canonical SMILES for 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one is Cc1cc2c(=O)[nH][nH]c(=S)n2n1.
What is the InChIKey of 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one?
The InChIKey is UYLOFYWUZSKRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4OS/c1-3-2-4-5(11)7-8-6(12)10(4)9-3/h2H,1H3,(H,7,11)(H,8,12).
What are the key properties of 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one?
2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one has a molecular weight of 182.21 g/mol, XLogP of 0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-sulfanylidene-5,6-dihydropyrazolo[1,5-d][1,2,4]triazin-4-one is sourced from PubChem (CID 1132923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).