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

C8H12N6O2S — CID 102693012

IUPACN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N6O2S/c1-14-6-10-12-7(14)2-5-11-17(15,16)8-3-4-9-13-8/h3-4,6,11H,2,5H2,1H3,(H,9,13)
InChIKeyHOIBJPHMVONOOP-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.94
Rot. Bonds5

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

N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693012) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693012
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC NameN-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESCn1cnnc1CCNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H12N6O2S/c1-14-6-10-12-7(14)2-5-11-17(15,16)8-3-4-9-13-8/h3-4,6,11H,2,5H2,1H3,(H,9,13)
InChIKeyHOIBJPHMVONOOP-UHFFFAOYSA-N
XLogP-0.94
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 102693012) is N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide is Cn1cnnc1CCNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is HOIBJPHMVONOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c1-14-6-10-12-7(14)2-5-11-17(15,16)8-3-4-9-13-8/h3-4,6,11H,2,5H2,1H3,(H,9,13).
What are the key properties of N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).