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

C7H10N6O2S — CID 102693087

IUPACN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c14-16(15,7-2-3-9-13-7)11-4-1-6-8-5-10-12-6/h2-3,5,11H,1,4H2,(H,9,13)(H,8,10,12)
InChIKeyOMNYAUJILGYPHV-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.95
Rot. Bonds5

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

N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (PubChem CID 102693087) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
PubChem CID102693087
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC NameN-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCc1ncn[nH]1)c1ccn[nH]1
InChIInChI=1S/C7H10N6O2S/c14-16(15,7-2-3-9-13-7)11-4-1-6-8-5-10-12-6/h2-3,5,11H,1,4H2,(H,9,13)(H,8,10,12)
InChIKeyOMNYAUJILGYPHV-UHFFFAOYSA-N
XLogP-0.95
TPSA116.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide (CID 102693087) is N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCc1ncn[nH]1)c1ccn[nH]1.
What is the InChIKey of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
The InChIKey is OMNYAUJILGYPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c14-16(15,7-2-3-9-13-7)11-4-1-6-8-5-10-12-6/h2-3,5,11H,1,4H2,(H,9,13)(H,8,10,12).
What are the key properties of N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide?
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.95, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).