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

C8H13N7O2S — CID 55038242

IUPAC5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1N)c1nncn1C
InChIInChI=1S/C8H13N7O2S/c1-5(8-13-11-4-15(8)2)14-18(16,17)6-3-10-12-7(6)9/h3-5,14H,1-2H3,(H3,9,10,12)
InChIKeyPRFWLKDIIIBRLN-UHFFFAOYSA-N
MW271.31 g/mol
LogP-0.84
Rot. Bonds4

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

5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (PubChem CID 55038242) has the molecular formula C8H13N7O2S and a molecular weight of 271.31 g/mol. Its IUPAC name is 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
PubChem CID55038242
Molecular FormulaC8H13N7O2S
Molecular Weight271.31 g/mol
Exact Mass271.09
IUPAC Name5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
SMILESCC(NS(=O)(=O)c1cn[nH]c1N)c1nncn1C
InChIInChI=1S/C8H13N7O2S/c1-5(8-13-11-4-15(8)2)14-18(16,17)6-3-10-12-7(6)9/h3-5,14H,1-2H3,(H3,9,10,12)
InChIKeyPRFWLKDIIIBRLN-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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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide (CID 55038242) is 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is CC(NS(=O)(=O)c1cn[nH]c1N)c1nncn1C.
What is the InChIKey of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PRFWLKDIIIBRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N7O2S/c1-5(8-13-11-4-15(8)2)14-18(16,17)6-3-10-12-7(6)9/h3-5,14H,1-2H3,(H3,9,10,12).
What are the key properties of 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-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 5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55038242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).