4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one

C16H20N4O — CID 10755494

IUPAC4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one
SMILESCN1CCN(Cc2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c1-19-7-9-20(10-8-19)12-14-11-15(21)17-18-16(14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,17,21)
InChIKeyUJVBPXXJDCJLDP-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.18
Rot. Bonds3

About 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one

4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 10755494) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one
PubChem CID10755494
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one
SMILESCN1CCN(Cc2cc(=O)[nH]nc2-c2ccccc2)CC1
InChIInChI=1S/C16H20N4O/c1-19-7-9-20(10-8-19)12-14-11-15(21)17-18-16(14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,17,21)
InChIKeyUJVBPXXJDCJLDP-UHFFFAOYSA-N
XLogP1.18
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one (CID 10755494) is 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one is CN1CCN(Cc2cc(=O)[nH]nc2-c2ccccc2)CC1.
What is the InChIKey of 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is UJVBPXXJDCJLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-19-7-9-20(10-8-19)12-14-11-15(21)17-18-16(14)13-5-3-2-4-6-13/h2-6,11H,7-10,12H2,1H3,(H,17,21).
What are the key properties of 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one?
4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylpiperazin-1-yl)methyl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 10755494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).