2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide

C8H9N7O2S — CID 135760631

IUPAC2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1nnc(SCC(=O)Nn2cnnc2)[nH]c1=O
InChIInChI=1S/C8H9N7O2S/c1-5-7(17)11-8(13-12-5)18-2-6(16)14-15-3-9-10-4-15/h3-4H,2H2,1H3,(H,14,16)(H,11,13,17)
InChIKeyFXVXKQOXSOUKPQ-UHFFFAOYSA-N
MW267.27 g/mol
LogP-1.07
Rot. Bonds4

About 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide

2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide (PubChem CID 135760631) has the molecular formula C8H9N7O2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
PubChem CID135760631
Molecular FormulaC8H9N7O2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide
SMILESCc1nnc(SCC(=O)Nn2cnnc2)[nH]c1=O
InChIInChI=1S/C8H9N7O2S/c1-5-7(17)11-8(13-12-5)18-2-6(16)14-15-3-9-10-4-15/h3-4H,2H2,1H3,(H,14,16)(H,11,13,17)
InChIKeyFXVXKQOXSOUKPQ-UHFFFAOYSA-N
XLogP-1.07
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide with MolForge

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Related Compounds

N-tert-butyl-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135456372
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-phenylacetamide
CID 135441944
N-[4-(dimethylamino)phenyl]-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135427780
N-(4-acetylphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135437935
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylethyl)acetamide
CID 135466668
N-(3-acetamidophenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135490028
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135963883
N-(2-ethoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135466669
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(2-phenylsulfanylphenyl)acetamide
CID 135764148
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetamide
CID 135655938
dimethyl 2-[[2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate
CID 135667329
6-methyl-3-propylsulfanyl-4H-1,2,4-triazin-5-one
CID 135453711

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The IUPAC name of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide (CID 135760631) is 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide.
What is the SMILES notation for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The canonical SMILES for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide is Cc1nnc(SCC(=O)Nn2cnnc2)[nH]c1=O.
What is the InChIKey of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
The InChIKey is FXVXKQOXSOUKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O2S/c1-5-7(17)11-8(13-12-5)18-2-6(16)14-15-3-9-10-4-15/h3-4H,2H2,1H3,(H,14,16)(H,11,13,17).
What are the key properties of 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide?
2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide has a molecular weight of 267.27 g/mol, XLogP of -1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]-N-(1,2,4-triazol-4-yl)acetamide is sourced from PubChem (CID 135760631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).