oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C13H15N3O3 — CID 166212805

IUPACoxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESO=C(OCC1CCCOC1)c1ccc2nncn2c1
InChIInChI=1S/C13H15N3O3/c17-13(19-8-10-2-1-5-18-7-10)11-3-4-12-15-14-9-16(12)6-11/h3-4,6,9-10H,1-2,5,7-8H2
InChIKeyFRMTXNMLMGQYML-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.31
Rot. Bonds3

About oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 166212805) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Nameoxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID166212805
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Nameoxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESO=C(OCC1CCCOC1)c1ccc2nncn2c1
InChIInChI=1S/C13H15N3O3/c17-13(19-8-10-2-1-5-18-7-10)11-3-4-12-15-14-9-16(12)6-11/h3-4,6,9-10H,1-2,5,7-8H2
InChIKeyFRMTXNMLMGQYML-UHFFFAOYSA-N
XLogP1.31
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 166212805) is oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is O=C(OCC1CCCOC1)c1ccc2nncn2c1.
What is the InChIKey of oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is FRMTXNMLMGQYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c17-13(19-8-10-2-1-5-18-7-10)11-3-4-12-15-14-9-16(12)6-11/h3-4,6,9-10H,1-2,5,7-8H2.
What are the key properties of oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-3-ylmethyl [1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 166212805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).