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

C18H21N5O — CID 18132995

IUPAC2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccccc1N1CCN(Cn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C18H21N5O/c1-15-6-2-3-7-16(15)21-12-10-20(11-13-21)14-23-18(24)22-9-5-4-8-17(22)19-23/h2-9H,10-14H2,1H3
InChIKeyRBBLDVBFHXUUNS-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.58
Rot. Bonds3

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

2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 18132995) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID18132995
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCc1ccccc1N1CCN(Cn2nc3ccccn3c2=O)CC1
InChIInChI=1S/C18H21N5O/c1-15-6-2-3-7-16(15)21-12-10-20(11-13-21)14-23-18(24)22-9-5-4-8-17(22)19-23/h2-9H,10-14H2,1H3
InChIKeyRBBLDVBFHXUUNS-UHFFFAOYSA-N
XLogP1.58
TPSA45.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2-methylphenyl)piperazin-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-(4-methoxyphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17422926
2-[(4-pyrazin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 17491036
2-[(4-benzhydrylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42926991
1-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 42929839
2-[2-(4-ethylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 86927836
ethane;2-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 177158440
2-[2-[1-(2-methylphenyl)tetrazol-5-yl]sulfanylethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 42956624
2-(cyclopentylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 115746883
2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;methanol
CID 19795514
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 51113728
2-[[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 94553805

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 18132995) is 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cc1ccccc1N1CCN(Cn2nc3ccccn3c2=O)CC1.
What is the InChIKey of 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is RBBLDVBFHXUUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-15-6-2-3-7-16(15)21-12-10-20(11-13-21)14-23-18(24)22-9-5-4-8-17(22)19-23/h2-9H,10-14H2,1H3.
What are the key properties of 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 323.40 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylphenyl)piperazin-1-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 18132995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).