3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one

C21H24N6O2 — CID 75490156

IUPAC3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one
SMILESO=C(CCc1nnc2ccccn2c1=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C21H24N6O2/c28-20(5-4-18-21(29)27-11-2-1-3-19(27)24-23-18)26-15-13-25(14-16-26)12-8-17-6-9-22-10-7-17/h1-3,6-7,9-11H,4-5,8,12-16H2
InChIKeyYYYOWIARSCYHHI-UHFFFAOYSA-N
MW392.46 g/mol
LogP0.80
Rot. Bonds6

About 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one

3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one (PubChem CID 75490156) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one
PubChem CID75490156
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one
SMILESO=C(CCc1nnc2ccccn2c1=O)N1CCN(CCc2ccncc2)CC1
InChIInChI=1S/C21H24N6O2/c28-20(5-4-18-21(29)27-11-2-1-3-19(27)24-23-18)26-15-13-25(14-16-26)12-8-17-6-9-22-10-7-17/h1-3,6-7,9-11H,4-5,8,12-16H2
InChIKeyYYYOWIARSCYHHI-UHFFFAOYSA-N
XLogP0.80
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one with MolForge

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Launch Full Analysis

Related Compounds

3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490376
3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490177
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
4-oxo-4-(4-propylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204318
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95334915
(3S)-3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 71825541
1-(3-pyridin-4-ylpropanoyl)piperidin-4-one
CID 82475134
3-(1-methyltriazol-4-yl)-1-[4-(2-phenylethyl)piperazin-1-yl]propan-1-one
CID 136553253
2-(3-chlorophenyl)-1-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]ethanone
CID 71988771
1-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one
CID 71829237
3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 53203397
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one (CID 75490156) is 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one is O=C(CCc1nnc2ccccn2c1=O)N1CCN(CCc2ccncc2)CC1.
What is the InChIKey of 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The InChIKey is YYYOWIARSCYHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-20(5-4-18-21(29)27-11-2-1-3-19(27)24-23-18)26-15-13-25(14-16-26)12-8-17-6-9-22-10-7-17/h1-3,6-7,9-11H,4-5,8,12-16H2.
What are the key properties of 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one has a molecular weight of 392.46 g/mol, XLogP of 0.80, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-[4-(2-pyridin-4-ylethyl)piperazin-1-yl]propyl]pyrido[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 75490156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).