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

C20H21N5O2 — CID 75490376

IUPAC3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one
SMILESO=C(CCc1nnc2ccccn2c1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-9-17-20(27)25-11-5-4-8-18(25)22-21-17/h1-8,11H,9-10,12-15H2
InChIKeyNTWFHVICHGPJBP-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.37
Rot. Bonds4

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

3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one (PubChem CID 75490376) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one.

Molecular Properties

Compound Name3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one
PubChem CID75490376
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one
SMILESO=C(CCc1nnc2ccccn2c1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H21N5O2/c26-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-9-17-20(27)25-11-5-4-8-18(25)22-21-17/h1-8,11H,9-10,12-15H2
InChIKeyNTWFHVICHGPJBP-UHFFFAOYSA-N
XLogP1.37
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-[3-(4-benzylpiperidin-1-yl)-3-oxopropyl]pyrido[2,1-c][1,2,4]triazin-4-one
CID 75490177
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
3-phenyl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 83278566
4-[4-(4-methoxyphenyl)piperazin-1-yl]-4-oxo-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204329
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
3-(4-methoxyphenyl)-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperazin-1-yl]propan-1-one
CID 53203397
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
4-oxo-4-(4-pyridin-2-ylpiperazin-1-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
CID 53204321
1-(4-phenylpiperazin-1-yl)-3-pyridin-3-ylpropan-1-one
CID 110853162
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 51217103
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

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The IUPAC name of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one (CID 75490376) is 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one.
What is the SMILES notation for 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The canonical SMILES for 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one is O=C(CCc1nnc2ccccn2c1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
The InChIKey is NTWFHVICHGPJBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c26-19(24-14-12-23(13-15-24)16-6-2-1-3-7-16)10-9-17-20(27)25-11-5-4-8-18(25)22-21-17/h1-8,11H,9-10,12-15H2.
What are the key properties of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one?
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one has a molecular weight of 363.42 g/mol, XLogP of 1.37, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]pyrido[2,1-c][1,2,4]triazin-4-one is sourced from PubChem (CID 75490376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).