2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C16H17ClN4O2 — CID 42929851

IUPAC2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccc(Cl)cc1CN(C)Cn1nc2ccccn2c1=O
InChIInChI=1S/C16H17ClN4O2/c1-19(10-12-9-13(17)6-7-14(12)23-2)11-21-16(22)20-8-4-3-5-15(20)18-21/h3-9H,10-11H2,1-2H3
InChIKeySRUWCFGHUHTNFY-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.25
Rot. Bonds5

About 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 42929851) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID42929851
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCOc1ccc(Cl)cc1CN(C)Cn1nc2ccccn2c1=O
InChIInChI=1S/C16H17ClN4O2/c1-19(10-12-9-13(17)6-7-14(12)23-2)11-21-16(22)20-8-4-3-5-15(20)18-21/h3-9H,10-11H2,1-2H3
InChIKeySRUWCFGHUHTNFY-UHFFFAOYSA-N
XLogP2.25
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

N-[(5-chloro-2-methoxyphenyl)methyl]-N,3-dimethylimidazo[1,2-a]pyridine-2-carboxamide
CID 154567902
2-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422939
2-[[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17407858
[2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]phenyl]methanamine
CID 60921813
2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 92863533
(E)-3-(3,4-dimethoxyphenyl)-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]prop-2-enamide
CID 51124333
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55861984
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
3-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9332388
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051
2-[2-(N-ethyl-3,4-difluoroanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 87019419

Frequently Asked Questions

What is the IUPAC name of 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 42929851) is 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is COc1ccc(Cl)cc1CN(C)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is SRUWCFGHUHTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-19(10-12-9-13(17)6-7-14(12)23-2)11-21-16(22)20-8-4-3-5-15(20)18-21/h3-9H,10-11H2,1-2H3.
What are the key properties of 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 332.79 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 42929851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).