3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide

C10H15N7O2S — CID 114386852

IUPAC3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nnc(C)c(C)n2)c(N)n1
InChIInChI=1S/C10H15N7O2S/c1-4-17-5-8(9(11)15-17)20(18,19)16-10-12-6(2)7(3)13-14-10/h5H,4H2,1-3H3,(H2,11,15)(H,12,14,16)
InChIKeyLKBWKYPFIFMLFS-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.09
Rot. Bonds4

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

3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide (PubChem CID 114386852) has the molecular formula C10H15N7O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
PubChem CID114386852
Molecular FormulaC10H15N7O2S
Molecular Weight297.34 g/mol
Exact Mass297.10
IUPAC Name3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nc2nnc(C)c(C)n2)c(N)n1
InChIInChI=1S/C10H15N7O2S/c1-4-17-5-8(9(11)15-17)20(18,19)16-10-12-6(2)7(3)13-14-10/h5H,4H2,1-3H3,(H2,11,15)(H,12,14,16)
InChIKeyLKBWKYPFIFMLFS-UHFFFAOYSA-N
XLogP0.09
TPSA128.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-1-ethyl-N-(2,4,6-trimethylphenyl)pyrazole-4-sulfonamide
CID 60808760
3-amino-N-tert-butyl-1-ethylpyrazole-4-sulfonamide
CID 60814031
3-amino-N-(3,5-difluorophenyl)-1-ethylpyrazole-4-sulfonamide
CID 60815193
3-amino-N-(2,6-dibromophenyl)-1-ethylpyrazole-4-sulfonamide
CID 107596320
3-amino-1-ethyl-N-(4-ethylphenyl)pyrazole-4-sulfonamide
CID 60815181
3-amino-1-ethyl-N-(3-hydroxyphenyl)pyrazole-4-sulfonamide
CID 61167291
3-amino-N-(2,2-dimethylpropyl)-1-ethylpyrazole-4-sulfonamide
CID 61168847
3-amino-1-ethyl-N-(2-methylbut-3-yn-2-yl)pyrazole-4-sulfonamide
CID 63999689
3-amino-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-ethylpyrazole-4-sulfonamide
CID 107843719
3-amino-N-(2,2-difluoroethyl)-1-ethylpyrazole-4-sulfonamide
CID 115405368
3-amino-1-ethyl-N-(2-hydroxy-2-methylpropyl)pyrazole-4-sulfonamide
CID 65103484
3-amino-N-(5,6-diethyl-1,2,4-triazin-3-yl)-1-methylpyrazole-4-sulfonamide
CID 114386882

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The IUPAC name of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide (CID 114386852) is 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nc2nnc(C)c(C)n2)c(N)n1.
What is the InChIKey of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide?
The InChIKey is LKBWKYPFIFMLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O2S/c1-4-17-5-8(9(11)15-17)20(18,19)16-10-12-6(2)7(3)13-14-10/h5H,4H2,1-3H3,(H2,11,15)(H,12,14,16).
What are the key properties of 3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide?
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.09, 4 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-dimethyl-1,2,4-triazin-3-yl)-1-ethylpyrazole-4-sulfonamide is sourced from PubChem (CID 114386852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).