2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C15H16N4O — CID 42954885

IUPAC2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCn1nc2ccccn2c1=O)c1ccccc1
InChIInChI=1S/C15H16N4O/c1-17(13-7-3-2-4-8-13)11-12-19-15(20)18-10-6-5-9-14(18)16-19/h2-10H,11-12H2,1H3
InChIKeyCLGMTZKQWPJALL-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.63
Rot. Bonds4

About 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 42954885) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID42954885
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCN(CCn1nc2ccccn2c1=O)c1ccccc1
InChIInChI=1S/C15H16N4O/c1-17(13-7-3-2-4-8-13)11-12-19-15(20)18-10-6-5-9-14(18)16-19/h2-10H,11-12H2,1H3
InChIKeyCLGMTZKQWPJALL-UHFFFAOYSA-N
XLogP1.63
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
2-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78962136
ethyl 2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]acetate
CID 62012002
2-[2-[(1-hydroxycyclopentyl)methyl-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115758501
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]acetic acid
CID 43132370
methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
CID 60966575
4-[ethyl(methyl)amino]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]benzamide
CID 51094949
2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 56583890
2-[2-(N-ethyl-2,4-dimethylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 55864831

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 42954885) is 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is CN(CCn1nc2ccccn2c1=O)c1ccccc1.
What is the InChIKey of 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is CLGMTZKQWPJALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-17(13-7-3-2-4-8-13)11-12-19-15(20)18-10-6-5-9-14(18)16-19/h2-10H,11-12H2,1H3.
What are the key properties of 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 268.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 42954885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).