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

C16H17ClN4O2 — CID 17461915

IUPAC2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCOc1ccccc1Cl)Cn1nc2ccccn2c1=O
InChIInChI=1S/C16H17ClN4O2/c1-19(10-11-23-14-7-3-2-6-13(14)17)12-21-16(22)20-9-5-4-8-15(20)18-21/h2-9H,10-12H2,1H3
InChIKeyTYSBONBVIIGCBP-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.12
Rot. Bonds6

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

2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 17461915) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID17461915
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCOc1ccccc1Cl)Cn1nc2ccccn2c1=O
InChIInChI=1S/C16H17ClN4O2/c1-19(10-11-23-14-7-3-2-6-13(14)17)12-21-16(22)20-9-5-4-8-15(20)18-21/h2-9H,10-12H2,1H3
InChIKeyTYSBONBVIIGCBP-UHFFFAOYSA-N
XLogP2.12
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 17461915) is 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(CCOc1ccccc1Cl)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is TYSBONBVIIGCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-19(10-11-23-14-7-3-2-6-13(14)17)12-21-16(22)20-9-5-4-8-15(20)18-21/h2-9H,10-12H2,1H3.
What are the key properties of 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 332.79 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenoxy)ethyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 17461915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).