2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one

C14H19N5O2 — CID 82151408

IUPAC2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESO=C(CCN1N=C2C=CC=CN2CC1=O)N1CCNCC1
InChIInChI=1S/C14H19N5O2/c20-13(17-9-5-15-6-10-17)4-8-19-14(21)11-18-7-2-1-3-12(18)16-19/h1-3,7,15H,4-6,8-11H2
InChIKeyPQVCTALIGIBDHL-UHFFFAOYSA-N
MW289.34 g/mol
LogP-0.65
Rot. Bonds3

About 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one

2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one (PubChem CID 82151408) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one.

Molecular Properties

Compound Name2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
PubChem CID82151408
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one
SMILESO=C(CCN1N=C2C=CC=CN2CC1=O)N1CCNCC1
InChIInChI=1S/C14H19N5O2/c20-13(17-9-5-15-6-10-17)4-8-19-14(21)11-18-7-2-1-3-12(18)16-19/h1-3,7,15H,4-6,8-11H2
InChIKeyPQVCTALIGIBDHL-UHFFFAOYSA-N
XLogP-0.65
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one with MolForge

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Related Compounds

1-methyl-4-(3-oxo-3-piperazin-1-ylpropyl)piperazin-2-one
CID 64693847
4-(3-oxo-3-piperazin-1-ylpropyl)morpholine-3,5-dione
CID 62542610
1-piperazin-1-yl-3-pyrrol-1-ylpropan-1-one
CID 82507429
6-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 94751445
1-(2-oxo-2-piperazin-1-ylethyl)pyrrole-2,5-dione
CID 61349224
3-(5-methyltetrazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 82509687
3-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982806
4-methyl-1-(3-oxo-3-piperazin-1-ylpropyl)pyrrolidin-2-one
CID 63102108
1,10-di(piperazin-1-yl)decane-1,10-dione
CID 19981244
5-bromo-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 39147647
5-fluoro-1-(3-oxo-3-piperazin-1-ylpropyl)pyridin-2-one
CID 82147365
2-(3-oxo-3-piperazin-1-ylpropyl)-6,7,8,8a-tetrahydro-3H-pyrrolo[1,2-a]pyrazine-1,4-dione
CID 79926521

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The IUPAC name of 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one (CID 82151408) is 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one.
What is the SMILES notation for 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The canonical SMILES for 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one is O=C(CCN1N=C2C=CC=CN2CC1=O)N1CCNCC1.
What is the InChIKey of 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
The InChIKey is PQVCTALIGIBDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c20-13(17-9-5-15-6-10-17)4-8-19-14(21)11-18-7-2-1-3-12(18)16-19/h1-3,7,15H,4-6,8-11H2.
What are the key properties of 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one?
2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one has a molecular weight of 289.34 g/mol, XLogP of -0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxo-3-piperazin-1-ylpropyl)-4H-pyrido[2,1-c][1,2,4]triazin-3-one is sourced from PubChem (CID 82151408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).