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

C8H12N6O2S — CID 102693086

IUPACN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C8H12N6O2S/c15-17(16,8-3-5-10-14-8)12-4-1-2-7-9-6-11-13-7/h3,5-6,12H,1-2,4H2,(H,10,14)(H,9,11,13)
InChIKeyJOZNUJVUYHCJJG-UHFFFAOYSA-N
MW256.29 g/mol
LogP-0.56
Rot. Bonds6

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

N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693086) has the molecular formula C8H12N6O2S and a molecular weight of 256.29 g/mol. Its IUPAC name is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693086
Molecular FormulaC8H12N6O2S
Molecular Weight256.29 g/mol
Exact Mass256.07
IUPAC NameN-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C8H12N6O2S/c15-17(16,8-3-5-10-14-8)12-4-1-2-7-9-6-11-13-7/h3,5-6,12H,1-2,4H2,(H,10,14)(H,9,11,13)
InChIKeyJOZNUJVUYHCJJG-UHFFFAOYSA-N
XLogP-0.56
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide (CID 102693086) is N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCCc1ncn[nH]1)c1ccn[nH]1.
What is the InChIKey of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is JOZNUJVUYHCJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6O2S/c15-17(16,8-3-5-10-14-8)12-4-1-2-7-9-6-11-13-7/h3,5-6,12H,1-2,4H2,(H,10,14)(H,9,11,13).
What are the key properties of N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide?
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 256.29 g/mol, XLogP of -0.56, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).