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

C12H14N6O4S2 — CID 2432066

IUPAC2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n(N)c1=O
InChIInChI=1S/C12H14N6O4S2/c1-7-11(20)18(13)12(17-16-7)23-6-10(19)15-8-2-4-9(5-3-8)24(14,21)22/h2-5H,6,13H2,1H3,(H,15,19)(H2,14,21,22)
InChIKeyRNGJMNMWMQTCER-UHFFFAOYSA-N
MW370.42 g/mol
LogP-0.96
Rot. Bonds5

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

2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (PubChem CID 2432066) has the molecular formula C12H14N6O4S2 and a molecular weight of 370.42 g/mol. Its IUPAC name is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
PubChem CID2432066
Molecular FormulaC12H14N6O4S2
Molecular Weight370.42 g/mol
Exact Mass370.05
IUPAC Name2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
SMILESCc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n(N)c1=O
InChIInChI=1S/C12H14N6O4S2/c1-7-11(20)18(13)12(17-16-7)23-6-10(19)15-8-2-4-9(5-3-8)24(14,21)22/h2-5H,6,13H2,1H3,(H,15,19)(H2,14,21,22)
InChIKeyRNGJMNMWMQTCER-UHFFFAOYSA-N
XLogP-0.96
TPSA163.06 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The IUPAC name of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide (CID 2432066) is 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is Cc1nnc(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n(N)c1=O.
What is the InChIKey of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
The InChIKey is RNGJMNMWMQTCER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O4S2/c1-7-11(20)18(13)12(17-16-7)23-6-10(19)15-8-2-4-9(5-3-8)24(14,21)22/h2-5H,6,13H2,1H3,(H,15,19)(H2,14,21,22).
What are the key properties of 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide?
2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide has a molecular weight of 370.42 g/mol, XLogP of -0.96, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-6-methyl-5-oxo-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 2432066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).