methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C13H16N4O3 — CID 117257645

IUPACmethyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(CN3CCOCC3)nn12
InChIInChI=1S/C13H16N4O3/c1-19-13(18)10-3-2-4-12-14-11(15-17(10)12)9-16-5-7-20-8-6-16/h2-4H,5-9H2,1H3
InChIKeyZVYMNQIWPXTLAP-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.35
Rot. Bonds3

About methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 117257645) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID117257645
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(CN3CCOCC3)nn12
InChIInChI=1S/C13H16N4O3/c1-19-13(18)10-3-2-4-12-14-11(15-17(10)12)9-16-5-7-20-8-6-16/h2-4H,5-9H2,1H3
InChIKeyZVYMNQIWPXTLAP-UHFFFAOYSA-N
XLogP0.35
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 117257645) is methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(CN3CCOCC3)nn12.
What is the InChIKey of methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is ZVYMNQIWPXTLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-13(18)10-3-2-4-12-14-11(15-17(10)12)9-16-5-7-20-8-6-16/h2-4H,5-9H2,1H3.
What are the key properties of methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.35, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(morpholin-4-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117257645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).