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

C6H8N6O2S — CID 102693523

IUPACN-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccn[nH]2)n[nH]1
InChIInChI=1S/C6H8N6O2S/c1-4-8-6(11-9-4)12-15(13,14)5-2-3-7-10-5/h2-3H,1H3,(H,7,10)(H2,8,9,11,12)
InChIKeyQRCDLFZNNRZFHB-UHFFFAOYSA-N
MW228.24 g/mol
LogP-0.36
Rot. Bonds3

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

N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693523) has the molecular formula C6H8N6O2S and a molecular weight of 228.24 g/mol. Its IUPAC name is N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102693523
Molecular FormulaC6H8N6O2S
Molecular Weight228.24 g/mol
Exact Mass228.04
IUPAC NameN-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccn[nH]2)n[nH]1
InChIInChI=1S/C6H8N6O2S/c1-4-8-6(11-9-4)12-15(13,14)5-2-3-7-10-5/h2-3H,1H3,(H,7,10)(H2,8,9,11,12)
InChIKeyQRCDLFZNNRZFHB-UHFFFAOYSA-N
XLogP-0.36
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide (CID 102693523) is N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide is Cc1nc(NS(=O)(=O)c2ccn[nH]2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is QRCDLFZNNRZFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2S/c1-4-8-6(11-9-4)12-15(13,14)5-2-3-7-10-5/h2-3H,1H3,(H,7,10)(H2,8,9,11,12).
What are the key properties of N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide?
N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 228.24 g/mol, XLogP of -0.36, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).