3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide

C8H13N7O2S — CID 106281103

IUPAC3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)nc1N)c1ncn[nH]1
InChIInChI=1S/C8H13N7O2S/c1-5(8-10-4-11-12-8)14-18(16,17)6-3-15(2)13-7(6)9/h3-5,14H,1-2H3,(H2,9,13)(H,10,11,12)
InChIKeyLJVPZDXEAUGWCO-UHFFFAOYSA-N
MW271.31 g/mol
LogP-0.84
Rot. Bonds4

About 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide

3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide (PubChem CID 106281103) has the molecular formula C8H13N7O2S and a molecular weight of 271.31 g/mol. Its IUPAC name is 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
PubChem CID106281103
Molecular FormulaC8H13N7O2S
Molecular Weight271.31 g/mol
Exact Mass271.09
IUPAC Name3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn(C)nc1N)c1ncn[nH]1
InChIInChI=1S/C8H13N7O2S/c1-5(8-10-4-11-12-8)14-18(16,17)6-3-15(2)13-7(6)9/h3-5,14H,1-2H3,(H2,9,13)(H,10,11,12)
InChIKeyLJVPZDXEAUGWCO-UHFFFAOYSA-N
XLogP-0.84
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-1-methyl-N-(3-methylbutan-2-yl)pyrazole-4-sulfonamide
CID 60810421
2-amino-4-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281114
3-amino-1-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyrazole-4-sulfonamide
CID 64517993
5-amino-2-chloro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281132
2-amino-4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106281139
3-amino-N-[(2R)-1-hydroxybutan-2-yl]-1-methylpyrazole-4-sulfonamide
CID 107213382
1,3,5-trimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide
CID 103885464
3-amino-N-(1-hydroxy-4-methylpentan-2-yl)-1-methylpyrazole-4-sulfonamide
CID 61240297
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-1-sulfonamide
CID 103885404
5-(aminomethyl)-2,4-dimethyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283754
3-amino-4-nitro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 106283475
3-amino-4-[1-(1H-1,2,4-triazol-5-yl)ethylsulfamoyl]benzoic acid
CID 106281112

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The IUPAC name of 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide (CID 106281103) is 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide.
What is the SMILES notation for 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The canonical SMILES for 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn(C)nc1N)c1ncn[nH]1.
What is the InChIKey of 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide?
The InChIKey is LJVPZDXEAUGWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7O2S/c1-5(8-10-4-11-12-8)14-18(16,17)6-3-15(2)13-7(6)9/h3-5,14H,1-2H3,(H2,9,13)(H,10,11,12).
What are the key properties of 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide?
3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide has a molecular weight of 271.31 g/mol, XLogP of -0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-4-sulfonamide is sourced from PubChem (CID 106281103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).