3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide

C11H17N7O2S — CID 114386882

IUPAC3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cn(C)nc2N)nc1CC
InChIInChI=1S/C11H17N7O2S/c1-4-7-8(5-2)14-15-11(13-7)17-21(19,20)9-6-18(3)16-10(9)12/h6H,4-5H2,1-3H3,(H2,12,16)(H,13,15,17)
InChIKeyXAQNEPOJKBMTQC-UHFFFAOYSA-N
MW311.37 g/mol
LogP0.11
Rot. Bonds5

About 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide

3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide (PubChem CID 114386882) has the molecular formula C11H17N7O2S and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide
PubChem CID114386882
Molecular FormulaC11H17N7O2S
Molecular Weight311.37 g/mol
Exact Mass311.12
IUPAC Name3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cn(C)nc2N)nc1CC
InChIInChI=1S/C11H17N7O2S/c1-4-7-8(5-2)14-15-11(13-7)17-21(19,20)9-6-18(3)16-10(9)12/h6H,4-5H2,1-3H3,(H2,12,16)(H,13,15,17)
InChIKeyXAQNEPOJKBMTQC-UHFFFAOYSA-N
XLogP0.11
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
CID 114386852
3-amino-1-methyl-N-(2-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60813866
3-amino-1-methyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-sulfonamide
CID 60809582
4-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809576
3-amino-N-(4-bromo-2,6-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 60808613
3-amino-1-methyl-N-octylpyrazole-4-sulfonamide
CID 115566064
3-amino-N-[(4-ethylcyclohexyl)methyl]-1-methylpyrazole-4-sulfonamide
CID 61113632
3-amino-1-methyl-N-(2-propan-2-ylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 60808279
2-[(3-amino-1-methylpyrazol-4-yl)sulfonylamino]benzamide
CID 60809611
3-amino-N-[3-(hydroxymethyl)pentan-3-yl]-1-methylpyrazole-4-sulfonamide
CID 62524294
3-amino-N-(2,5-dibromophenyl)-1-methylpyrazole-4-sulfonamide
CID 61466411
3-amino-N-(4-bromo-3,5-dimethylphenyl)-1-methylpyrazole-4-sulfonamide
CID 107571230

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide (CID 114386882) is 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide is CCc1nnc(NS(=O)(=O)c2cn(C)nc2N)nc1CC.
What is the InChIKey of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is XAQNEPOJKBMTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7O2S/c1-4-7-8(5-2)14-15-11(13-7)17-21(19,20)9-6-18(3)16-10(9)12/h6H,4-5H2,1-3H3,(H2,12,16)(H,13,15,17).
What are the key properties of 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide?
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 311.37 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 114386882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).