5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide

C10H10N6O2S — CID 113366401

IUPAC5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(-c2ccc(C#N)cn2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H10N6O2S/c1-2-16-9(14-15-10(16)19(12,17)18)8-4-3-7(5-11)6-13-8/h3-4,6H,2H2,1H3,(H2,12,17,18)
InChIKeyAQIAQERXYGXYAU-UHFFFAOYSA-N
MW278.30 g/mol
LogP-0.12
Rot. Bonds3

About 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide

5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide (PubChem CID 113366401) has the molecular formula C10H10N6O2S and a molecular weight of 278.30 g/mol. Its IUPAC name is 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide.

Molecular Properties

Compound Name5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
PubChem CID113366401
Molecular FormulaC10H10N6O2S
Molecular Weight278.30 g/mol
Exact Mass278.06
IUPAC Name5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
SMILESCCn1c(-c2ccc(C#N)cn2)nnc1S(N)(=O)=O
InChIInChI=1S/C10H10N6O2S/c1-2-16-9(14-15-10(16)19(12,17)18)8-4-3-7(5-11)6-13-8/h3-4,6H,2H2,1H3,(H2,12,17,18)
InChIKeyAQIAQERXYGXYAU-UHFFFAOYSA-N
XLogP-0.12
TPSA127.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The IUPAC name of 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide (CID 113366401) is 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide.
What is the SMILES notation for 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The canonical SMILES for 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide is CCn1c(-c2ccc(C#N)cn2)nnc1S(N)(=O)=O.
What is the InChIKey of 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
The InChIKey is AQIAQERXYGXYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2S/c1-2-16-9(14-15-10(16)19(12,17)18)8-4-3-7(5-11)6-13-8/h3-4,6H,2H2,1H3,(H2,12,17,18).
What are the key properties of 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide?
5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide has a molecular weight of 278.30 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyano-2-pyridinyl)-4-ethyl-1,2,4-triazole-3-sulfonamide is sourced from PubChem (CID 113366401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).