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

C16H20N6O3S — CID 154736367

IUPAC3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1cnc2onc(CC)c2c1
InChIInChI=1S/C16H20N6O3S/c1-3-12-11-8-10(9-17-16(11)25-20-12)26(23,24)21-13-6-5-7-22-15(13)18-14(4-2)19-22/h8-9,13,21H,3-7H2,1-2H3
InChIKeyBMVGITWQIGGGGQ-UHFFFAOYSA-N
MW376.44 g/mol
LogP1.75
Rot. Bonds5

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

3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (PubChem CID 154736367) has the molecular formula C16H20N6O3S and a molecular weight of 376.44 g/mol. Its IUPAC name is 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.

Molecular Properties

Compound Name3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
PubChem CID154736367
Molecular FormulaC16H20N6O3S
Molecular Weight376.44 g/mol
Exact Mass376.13
IUPAC Name3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
SMILESCCc1nc2n(n1)CCCC2NS(=O)(=O)c1cnc2onc(CC)c2c1
InChIInChI=1S/C16H20N6O3S/c1-3-12-11-8-10(9-17-16(11)25-20-12)26(23,24)21-13-6-5-7-22-15(13)18-14(4-2)19-22/h8-9,13,21H,3-7H2,1-2H3
InChIKeyBMVGITWQIGGGGQ-UHFFFAOYSA-N
XLogP1.75
TPSA115.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The IUPAC name of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide (CID 154736367) is 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide.
What is the SMILES notation for 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The canonical SMILES for 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is CCc1nc2n(n1)CCCC2NS(=O)(=O)c1cnc2onc(CC)c2c1.
What is the InChIKey of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
The InChIKey is BMVGITWQIGGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3S/c1-3-12-11-8-10(9-17-16(11)25-20-12)26(23,24)21-13-6-5-7-22-15(13)18-14(4-2)19-22/h8-9,13,21H,3-7H2,1-2H3.
What are the key properties of 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide?
3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide has a molecular weight of 376.44 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide is sourced from PubChem (CID 154736367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).