4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one

C19H27N5O2 — CID 10893672

IUPAC4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-15-14-16(19(25)22(2)21-15)20-8-9-23-10-12-24(13-11-23)17-6-4-5-7-18(17)26-3/h4-7,14,20H,8-13H2,1-3H3
InChIKeyCOXFKNBPMUTWPD-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.33
Rot. Bonds6

About 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one

4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one (PubChem CID 10893672) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one
PubChem CID10893672
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one
SMILESCOc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1
InChIInChI=1S/C19H27N5O2/c1-15-14-16(19(25)22(2)21-15)20-8-9-23-10-12-24(13-11-23)17-6-4-5-7-18(17)26-3/h4-7,14,20H,8-13H2,1-3H3
InChIKeyCOXFKNBPMUTWPD-UHFFFAOYSA-N
XLogP1.33
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one with MolForge

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Related Compounds

Urapidil
CID 5639
Cumi-101
CID 21830793
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-2,2-dimethyl-propionamide
CID 9863108
N-(2-Methoxyphenyl)-2-morpholinoacetamide
CID 684240
N'-(5-isopropenyl-2-methylcyclohex-2-en-1-ylidene)-2-(2-methoxyanilino)acetohydrazide
CID 9695436
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-5-propionyl-2H-pyridazin-3-one
CID 10005161
5-Isobutyryl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10074286
5-Acetyl-4-{2-[4-(2-methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10434440
4-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethylamino}-2-methyl-6-phenyl-2H-pyridazin-3-one
CID 10916771
5-Acetyl-4-{3-[4-(5-chloro-2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10917316
5-Acetyl-4-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylamino}-2,6-dimethyl-2H-pyridazin-3-one
CID 10949698
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-3-phenyl-acrylamide; oxalic acid
CID 11731962

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one (CID 10893672) is 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one is COc1ccccc1N1CCN(CCNc2cc(C)nn(C)c2=O)CC1.
What is the InChIKey of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
The InChIKey is COXFKNBPMUTWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-15-14-16(19(25)22(2)21-15)20-8-9-23-10-12-24(13-11-23)17-6-4-5-7-18(17)26-3/h4-7,14,20H,8-13H2,1-3H3.
What are the key properties of 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one?
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one has a molecular weight of 357.46 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 10893672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).