2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one

C20H30N4O — CID 46703315

IUPAC2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one
SMILESCC(C)Cc1ccc(C2=NN(CN3CCN(C)CC3)C(=O)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-16(2)14-17-4-6-18(7-5-17)19-8-9-20(25)24(21-19)15-23-12-10-22(3)11-13-23/h4-7,16H,8-15H2,1-3H3
InChIKeyLPECGIDWCJGCDQ-UHFFFAOYSA-N
MW342.49 g/mol
LogP2.42
Rot. Bonds5

About 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one

2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one (PubChem CID 46703315) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one
PubChem CID46703315
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one
SMILESCC(C)Cc1ccc(C2=NN(CN3CCN(C)CC3)C(=O)CC2)cc1
InChIInChI=1S/C20H30N4O/c1-16(2)14-17-4-6-18(7-5-17)19-8-9-20(25)24(21-19)15-23-12-10-22(3)11-13-23/h4-7,16H,8-15H2,1-3H3
InChIKeyLPECGIDWCJGCDQ-UHFFFAOYSA-N
XLogP2.42
TPSA39.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one (CID 46703315) is 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one is CC(C)Cc1ccc(C2=NN(CN3CCN(C)CC3)C(=O)CC2)cc1.
What is the InChIKey of 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is LPECGIDWCJGCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-16(2)14-17-4-6-18(7-5-17)19-8-9-20(25)24(21-19)15-23-12-10-22(3)11-13-23/h4-7,16H,8-15H2,1-3H3.
What are the key properties of 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one?
2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 342.49 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpiperazin-1-yl)methyl]-6-[4-(2-methylpropyl)phenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 46703315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).