2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one

C18H24N4O — CID 126913839

IUPAC2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O/c1-16-7-8-18(23)22(19-16)14-13-20-9-11-21(12-10-20)15-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyKYEPCRDGFDQVOP-UHFFFAOYSA-N
MW312.42 g/mol
LogP1.37
Rot. Bonds5

About 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one

2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one (PubChem CID 126913839) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
PubChem CID126913839
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCN2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C18H24N4O/c1-16-7-8-18(23)22(19-16)14-13-20-9-11-21(12-10-20)15-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3
InChIKeyKYEPCRDGFDQVOP-UHFFFAOYSA-N
XLogP1.37
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913735
6-methyl-2-[2-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913663
6-methyl-2-[2-[4-(2-methylquinolin-4-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913796
6-methyl-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913810
6-methyl-2-[2-[4-(2-phenyltriazole-4-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126855869
6-methyl-2-[2-(4-pyrazin-2-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126913622
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
6-methyl-2-[2-[4-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126913805
6-methyl-2-propylpyridazin-3-one
CID 12504076
6-methyl-2-(2-phenoxyethyl)pyridazin-3-one
CID 129259620
2-[2-[4-(3,4-dihydro-2H-chromene-3-carbonyl)piperazin-1-yl]ethyl]-6-methylpyridazin-3-one
CID 126913588
1-[2-(4-methylpiperazin-1-yl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 114695976

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one (CID 126913839) is 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCN2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one?
The InChIKey is KYEPCRDGFDQVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-16-7-8-18(23)22(19-16)14-13-20-9-11-21(12-10-20)15-17-5-3-2-4-6-17/h2-8H,9-15H2,1H3.
What are the key properties of 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one?
2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one has a molecular weight of 312.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-benzylpiperazin-1-yl)ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 126913839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).