2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C17H20N4O2 — CID 17422939

IUPAC2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOc1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H20N4O2/c1-3-23-15-9-7-14(8-10-15)12-19(2)13-21-17(22)20-11-5-4-6-16(20)18-21/h4-11H,3,12-13H2,1-2H3
InChIKeyOZNUDCYXMVWYGF-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.98
Rot. Bonds6

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

2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 17422939) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID17422939
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCCOc1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1
InChIInChI=1S/C17H20N4O2/c1-3-23-15-9-7-14(8-10-15)12-19(2)13-21-17(22)20-11-5-4-6-16(20)18-21/h4-11H,3,12-13H2,1-2H3
InChIKeyOZNUDCYXMVWYGF-UHFFFAOYSA-N
XLogP1.98
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 17422939) is 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CCOc1ccc(CN(C)Cn2nc3ccccn3c2=O)cc1.
What is the InChIKey of 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is OZNUDCYXMVWYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-23-15-9-7-14(8-10-15)12-19(2)13-21-17(22)20-11-5-4-6-16(20)18-21/h4-11H,3,12-13H2,1-2H3.
What are the key properties of 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 312.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 17422939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).