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

C15H15ClN4O — CID 17461923

IUPAC2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(Cc1ccccc1Cl)Cn1nc2ccccn2c1=O
InChIInChI=1S/C15H15ClN4O/c1-18(10-12-6-2-3-7-13(12)16)11-20-15(21)19-9-5-4-8-14(19)17-20/h2-9H,10-11H2,1H3
InChIKeyGBAIAWIWPLCQMY-UHFFFAOYSA-N
MW302.77 g/mol
LogP2.24
Rot. Bonds4

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

2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 17461923) has the molecular formula C15H15ClN4O and a molecular weight of 302.77 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID17461923
Molecular FormulaC15H15ClN4O
Molecular Weight302.77 g/mol
Exact Mass302.09
IUPAC Name2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(Cc1ccccc1Cl)Cn1nc2ccccn2c1=O
InChIInChI=1S/C15H15ClN4O/c1-18(10-12-6-2-3-7-13(12)16)11-20-15(21)19-9-5-4-8-14(19)17-20/h2-9H,10-11H2,1H3
InChIKeyGBAIAWIWPLCQMY-UHFFFAOYSA-N
XLogP2.24
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.77
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-[[(5-chloro-2-methoxyphenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42929851
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-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-[(3-chloro-4-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618625
2-[[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 92863533
2-[(4-ethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115633546
2-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115579366
N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)-N-phenylacetamide
CID 134007051

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 17461923) is 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(Cc1ccccc1Cl)Cn1nc2ccccn2c1=O.
What is the InChIKey of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is GBAIAWIWPLCQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O/c1-18(10-12-6-2-3-7-13(12)16)11-20-15(21)19-9-5-4-8-14(19)17-20/h2-9H,10-11H2,1H3.
What are the key properties of 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 302.77 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)methyl-methylamino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 17461923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).