2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C12H16N4O2 — CID 42929876

IUPAC2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(Cn2nc3ccccn3c2=O)CCO1
InChIInChI=1S/C12H16N4O2/c1-10-8-14(6-7-18-10)9-16-12(17)15-5-3-2-4-11(15)13-16/h2-5,10H,6-9H2,1H3
InChIKeyRVQLJWUXMYTWPA-UHFFFAOYSA-N
MW248.29 g/mol
LogP0.17
Rot. Bonds2

About 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 42929876) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID42929876
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCC1CN(Cn2nc3ccccn3c2=O)CCO1
InChIInChI=1S/C12H16N4O2/c1-10-8-14(6-7-18-10)9-16-12(17)15-5-3-2-4-11(15)13-16/h2-5,10H,6-9H2,1H3
InChIKeyRVQLJWUXMYTWPA-UHFFFAOYSA-N
XLogP0.17
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 50.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 42929876) is 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CC1CN(Cn2nc3ccccn3c2=O)CCO1.
What is the InChIKey of 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RVQLJWUXMYTWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-10-8-14(6-7-18-10)9-16-12(17)15-5-3-2-4-11(15)13-16/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 248.29 g/mol, XLogP of 0.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylmorpholin-4-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 42929876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).