2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one

C24H25N5O — CID 42926991

IUPAC2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccn12
InChIInChI=1S/C24H25N5O/c30-24-28-14-8-7-13-22(28)25-29(24)19-26-15-17-27(18-16-26)23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23H,15-19H2
InChIKeyRQQNYUCFEZAJIY-UHFFFAOYSA-N
MW399.50 g/mol
LogP2.86
Rot. Bonds5

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

2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 42926991) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID42926991
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESO=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccn12
InChIInChI=1S/C24H25N5O/c30-24-28-14-8-7-13-22(28)25-29(24)19-26-15-17-27(18-16-26)23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23H,15-19H2
InChIKeyRQQNYUCFEZAJIY-UHFFFAOYSA-N
XLogP2.86
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[4-(2-hydroxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42888788
2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 18132995
2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17491036
2-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422926
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
2-[(4-benzhydrylpiperazin-1-yl)methyl]-4-cyclopropyl-1,2,4-triazole-3-thione
CID 17468666
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetyl]amino]-2-phenylacetamide
CID 56807759
2-(2-ethylbutyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 116618637
1-(4-benzhydrylpiperazin-1-yl)-3-imidazo[1,2-a]pyridin-3-yl-3-phenylpropan-1-one
CID 5058665
2-[2-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 79411350
2-[[bis(2-methylpropyl)amino]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 75864744

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 42926991) is 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is O=c1n(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccn12.
What is the InChIKey of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RQQNYUCFEZAJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c30-24-28-14-8-7-13-22(28)25-29(24)19-26-15-17-27(18-16-26)23(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,23H,15-19H2.
What are the key properties of 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 399.50 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 42926991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).