1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide

C7H10N6O2S — CID 19683374

IUPAC1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nn2cnnc2)cn1
InChIInChI=1S/C7H10N6O2S/c1-2-12-4-7(3-10-12)16(14,15)11-13-5-8-9-6-13/h3-6,11H,2H2,1H3
InChIKeyLHJBJLPIBMGSHF-UHFFFAOYSA-N
MW242.26 g/mol
LogP-0.57
Rot. Bonds4

About 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide

1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide (PubChem CID 19683374) has the molecular formula C7H10N6O2S and a molecular weight of 242.26 g/mol. Its IUPAC name is 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
PubChem CID19683374
Molecular FormulaC7H10N6O2S
Molecular Weight242.26 g/mol
Exact Mass242.06
IUPAC Name1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
SMILESCCn1cc(S(=O)(=O)Nn2cnnc2)cn1
InChIInChI=1S/C7H10N6O2S/c1-2-12-4-7(3-10-12)16(14,15)11-13-5-8-9-6-13/h3-6,11H,2H2,1H3
InChIKeyLHJBJLPIBMGSHF-UHFFFAOYSA-N
XLogP-0.57
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 5-0.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The IUPAC name of 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide (CID 19683374) is 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide is CCn1cc(S(=O)(=O)Nn2cnnc2)cn1.
What is the InChIKey of 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
The InChIKey is LHJBJLPIBMGSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O2S/c1-2-12-4-7(3-10-12)16(14,15)11-13-5-8-9-6-13/h3-6,11H,2H2,1H3.
What are the key properties of 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide?
1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide has a molecular weight of 242.26 g/mol, XLogP of -0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 19683374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).