2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one

C20H22N6O2 — CID 163350559

IUPAC2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
SMILESCOc1ccnc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H22N6O2/c1-28-18-9-10-21-20(22-18)25-13-11-24(12-14-25)17-7-8-19(27)26(23-17)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyDYWAHZAOPXHECH-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.42
Rot. Bonds5

About 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one

2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one (PubChem CID 163350559) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
PubChem CID163350559
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
SMILESCOc1ccnc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)n1
InChIInChI=1S/C20H22N6O2/c1-28-18-9-10-21-20(22-18)25-13-11-24(12-14-25)17-7-8-19(27)26(23-17)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyDYWAHZAOPXHECH-UHFFFAOYSA-N
XLogP1.42
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-benzyl-6-[4-(5-ethylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163350553
2-[(4-fluorophenyl)methyl]-6-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one
CID 163356906
2-benzyl-6-(4-pyrazin-2-ylpiperazin-1-yl)pyridazin-3-one
CID 163350513
4-methoxy-2-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 154829857
2-[(4-fluorophenyl)methyl]-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazin-3-one
CID 163356905
6-[4-(5-chloropyrimidin-2-yl)piperazin-1-yl]-2-(pyridin-4-ylmethyl)pyridazin-3-one
CID 166605274
4-methoxy-2-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]pyrimidine
CID 133314057
4-benzyl-3-ethyl-1-(4-methoxypyrimidin-2-yl)-1,4-diazepan-5-one
CID 56868757
6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-2,3-dimethylimidazo[1,2-b]pyridazine
CID 163348421
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]acetic acid
CID 43521693
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-3H-quinazolin-4-one
CID 137264350
8-(2-fluorophenyl)-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]quinoline
CID 24733614

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
The IUPAC name of 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one (CID 163350559) is 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one is COc1ccnc(N2CCN(c3ccc(=O)n(Cc4ccccc4)n3)CC2)n1.
What is the InChIKey of 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
The InChIKey is DYWAHZAOPXHECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-28-18-9-10-21-20(22-18)25-13-11-24(12-14-25)17-7-8-19(27)26(23-17)15-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one?
2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one has a molecular weight of 378.44 g/mol, XLogP of 1.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]pyridazin-3-one is sourced from PubChem (CID 163350559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).