2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C24H26N4O2 — CID 56583890

IUPAC2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCCO)C(c2ccccc2)c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H26N4O2/c29-19-9-15-26(17-18-28-24(30)27-16-8-7-14-22(27)25-28)23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,29H,9,15,17-19H2
InChIKeyQFAGEJHUWCSNDT-UHFFFAOYSA-N
MW402.50 g/mol
LogP2.97
Rot. Bonds9

About 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 56583890) has the molecular formula C24H26N4O2 and a molecular weight of 402.50 g/mol. Its IUPAC name is 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID56583890
Molecular FormulaC24H26N4O2
Molecular Weight402.50 g/mol
Exact Mass402.21
IUPAC Name2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CCN(CCCO)C(c2ccccc2)c2ccccc2)nc2ccccn12
InChIInChI=1S/C24H26N4O2/c29-19-9-15-26(17-18-28-24(30)27-16-8-7-14-22(27)25-28)23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,29H,9,15,17-19H2
InChIKeyQFAGEJHUWCSNDT-UHFFFAOYSA-N
XLogP2.97
TPSA62.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Related Compounds

2-[2-(N-methylanilino)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42954885
2-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 103856884
N-[3-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3,3-diphenylpropanamide
CID 60524723
2-[2-[[2-hydroxy-1-(4-methoxyphenyl)ethyl]-methylamino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 111122508
2-(5-oxohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017705
2-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 78962136
2-(6-chlorohexyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62229478
2-(3-oxobutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 62017704
2-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]propanoic acid
CID 43245331
2-pent-4-ynyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115870969
methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
CID 60966575
2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-2-phenylacetamide
CID 56807759

Frequently Asked Questions

What is the IUPAC name of 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 56583890) is 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CCN(CCCO)C(c2ccccc2)c2ccccc2)nc2ccccn12.
What is the InChIKey of 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is QFAGEJHUWCSNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O2/c29-19-9-15-26(17-18-28-24(30)27-16-8-7-14-22(27)25-28)23(20-10-3-1-4-11-20)21-12-5-2-6-13-21/h1-8,10-14,16,23,29H,9,15,17-19H2.
What are the key properties of 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 402.50 g/mol, XLogP of 2.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[benzhydryl(3-hydroxypropyl)amino]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 56583890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).