N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide

C15H22N6O3S — CID 75496235

IUPACN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C15H22N6O3S/c1-2-14-17-15-13(4-3-6-20(15)18-14)19-25(22,23)12-8-16-21(9-12)11-5-7-24-10-11/h8-9,11,13,19H,2-7,10H2,1H3
InChIKeyHTDZIYPCXVNJRP-UHFFFAOYSA-N
MW366.45 g/mol
LogP0.81
Rot. Bonds5

About N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide

N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide (PubChem CID 75496235) has the molecular formula C15H22N6O3S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
PubChem CID75496235
Molecular FormulaC15H22N6O3S
Molecular Weight366.45 g/mol
Exact Mass366.15
IUPAC NameN-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1cnn(C2CCOC2)c1
InChIInChI=1S/C15H22N6O3S/c1-2-14-17-15-13(4-3-6-20(15)18-14)19-25(22,23)12-8-16-21(9-12)11-5-7-24-10-11/h8-9,11,13,19H,2-7,10H2,1H3
InChIKeyHTDZIYPCXVNJRP-UHFFFAOYSA-N
XLogP0.81
TPSA103.93 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The IUPAC name of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide (CID 75496235) is N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide is CCc1nc2n(n1)CCCC2NS(=O)(=O)c1cnn(C2CCOC2)c1.
What is the InChIKey of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
The InChIKey is HTDZIYPCXVNJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O3S/c1-2-14-17-15-13(4-3-6-20(15)18-14)19-25(22,23)12-8-16-21(9-12)11-5-7-24-10-11/h8-9,11,13,19H,2-7,10H2,1H3.
What are the key properties of N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide?
N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide has a molecular weight of 366.45 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-1-(oxolan-3-yl)pyrazole-4-sulfonamide is sourced from PubChem (CID 75496235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).