methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C13H15N3O3 — CID 117147425

IUPACmethyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CC3CCOC3)nnc12
InChIInChI=1S/C13H15N3O3/c1-18-13(17)10-3-2-5-16-11(14-15-12(10)16)7-9-4-6-19-8-9/h2-3,5,9H,4,6-8H2,1H3
InChIKeySIOAGUDGCNTURH-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.09
Rot. Bonds3

About methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 117147425) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

Compound Namemethyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
PubChem CID117147425
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
SMILESCOC(=O)c1cccn2c(CC3CCOC3)nnc12
InChIInChI=1S/C13H15N3O3/c1-18-13(17)10-3-2-5-16-11(14-15-12(10)16)7-9-4-6-19-8-9/h2-3,5,9H,4,6-8H2,1H3
InChIKeySIOAGUDGCNTURH-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The IUPAC name of methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 117147425) is methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.
What is the SMILES notation for methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The canonical SMILES for methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(CC3CCOC3)nnc12.
What is the InChIKey of methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
The InChIKey is SIOAGUDGCNTURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-18-13(17)10-3-2-5-16-11(14-15-12(10)16)7-9-4-6-19-8-9/h2-3,5,9H,4,6-8H2,1H3.
What are the key properties of methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?
methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).