N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide

C6H8N6O2S — CID 102692319

IUPACN-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C6H8N6O2S/c13-15(14,6-1-2-8-12-6)10-3-5-7-4-9-11-5/h1-2,4,10H,3H2,(H,8,12)(H,7,9,11)
InChIKeyDSYORNXTMOLONQ-UHFFFAOYSA-N
MW228.24 g/mol
LogP-0.99
Rot. Bonds4

About N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide

N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692319) has the molecular formula C6H8N6O2S and a molecular weight of 228.24 g/mol. Its IUPAC name is N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692319
Molecular FormulaC6H8N6O2S
Molecular Weight228.24 g/mol
Exact Mass228.04
IUPAC NameN-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C6H8N6O2S/c13-15(14,6-1-2-8-12-6)10-3-5-7-4-9-11-5/h1-2,4,10H,3H2,(H,8,12)(H,7,9,11)
InChIKeyDSYORNXTMOLONQ-UHFFFAOYSA-N
XLogP-0.99
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide (CID 102692319) is N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCc1ncn[nH]1)c1ccn[nH]1.
What is the InChIKey of N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is DSYORNXTMOLONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6O2S/c13-15(14,6-1-2-8-12-6)10-3-5-7-4-9-11-5/h1-2,4,10H,3H2,(H,8,12)(H,7,9,11).
What are the key properties of N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide?
N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 228.24 g/mol, XLogP of -0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).