5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one

C13H23N5O — CID 176690644

IUPAC5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(NNN2CCN(C)CC2)ccc1=O
InChIInChI=1S/C13H23N5O/c1-11(2)18-10-12(4-5-13(18)19)14-15-17-8-6-16(3)7-9-17/h4-5,10-11,14-15H,6-9H2,1-3H3
InChIKeyGCSCYSGXOLZOGD-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.51
Rot. Bonds4

About 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one

5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one (PubChem CID 176690644) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one
PubChem CID176690644
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(NNN2CCN(C)CC2)ccc1=O
InChIInChI=1S/C13H23N5O/c1-11(2)18-10-12(4-5-13(18)19)14-15-17-8-6-16(3)7-9-17/h4-5,10-11,14-15H,6-9H2,1-3H3
InChIKeyGCSCYSGXOLZOGD-UHFFFAOYSA-N
XLogP0.51
TPSA52.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one (CID 176690644) is 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(NNN2CCN(C)CC2)ccc1=O.
What is the InChIKey of 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is GCSCYSGXOLZOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-11(2)18-10-12(4-5-13(18)19)14-15-17-8-6-16(3)7-9-17/h4-5,10-11,14-15H,6-9H2,1-3H3.
What are the key properties of 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one?
5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 265.36 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methylpiperazin-1-yl)hydrazinyl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 176690644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).