2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

C13H19N3O3 — CID 117156026

IUPAC2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2nc(CC3CCCOC3)nc2C1
InChIInChI=1S/C13H19N3O3/c17-13(18)10-3-4-16-12(7-10)14-11(15-16)6-9-2-1-5-19-8-9/h9-10H,1-8H2,(H,17,18)
InChIKeyBYSSDQQFHPSGFQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.89
Rot. Bonds3

About 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid

2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 117156026) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID117156026
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
SMILESO=C(O)C1CCn2nc(CC3CCCOC3)nc2C1
InChIInChI=1S/C13H19N3O3/c17-13(18)10-3-4-16-12(7-10)14-11(15-16)6-9-2-1-5-19-8-9/h9-10H,1-8H2,(H,17,18)
InChIKeyBYSSDQQFHPSGFQ-UHFFFAOYSA-N
XLogP0.89
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid (CID 117156026) is 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is O=C(O)C1CCn2nc(CC3CCCOC3)nc2C1.
What is the InChIKey of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is BYSSDQQFHPSGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c17-13(18)10-3-4-16-12(7-10)14-11(15-16)6-9-2-1-5-19-8-9/h9-10H,1-8H2,(H,17,18).
What are the key properties of 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid?
2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117156026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).