N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

C10H11N7O2S — CID 19080773

IUPACN-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2nc3ccncn3n2)cn1
InChIInChI=1S/C10H11N7O2S/c1-2-16-6-8(5-12-16)15-20(18,19)10-13-9-3-4-11-7-17(9)14-10/h3-7,15H,2H2,1H3
InChIKeyRDBBEQKOMYQVTJ-UHFFFAOYSA-N
MW293.31 g/mol
LogP0.14
Rot. Bonds4

About N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide

N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (PubChem CID 19080773) has the molecular formula C10H11N7O2S and a molecular weight of 293.31 g/mol. Its IUPAC name is N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
PubChem CID19080773
Molecular FormulaC10H11N7O2S
Molecular Weight293.31 g/mol
Exact Mass293.07
IUPAC NameN-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
SMILESCCn1cc(NS(=O)(=O)c2nc3ccncn3n2)cn1
InChIInChI=1S/C10H11N7O2S/c1-2-16-6-8(5-12-16)15-20(18,19)10-13-9-3-4-11-7-17(9)14-10/h3-7,15H,2H2,1H3
InChIKeyRDBBEQKOMYQVTJ-UHFFFAOYSA-N
XLogP0.14
TPSA107.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The IUPAC name of N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide (CID 19080773) is N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is CCn1cc(NS(=O)(=O)c2nc3ccncn3n2)cn1.
What is the InChIKey of N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
The InChIKey is RDBBEQKOMYQVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N7O2S/c1-2-16-6-8(5-12-16)15-20(18,19)10-13-9-3-4-11-7-17(9)14-10/h3-7,15H,2H2,1H3.
What are the key properties of N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide?
N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide has a molecular weight of 293.31 g/mol, XLogP of 0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide is sourced from PubChem (CID 19080773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).