3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one

C21H22N2O5 — CID 155815094

IUPAC3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(Cc3cc(OC)c(OC)c(OC)c3)c(=O)[nH]n2)cc1
InChIInChI=1S/C21H22N2O5/c1-25-16-7-5-14(6-8-16)17-12-15(21(24)23-22-17)9-13-10-18(26-2)20(28-4)19(11-13)27-3/h5-8,10-12H,9H2,1-4H3,(H,23,24)
InChIKeySYEKIVDVZMAPNH-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.06
Rot. Bonds7

About 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one

3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one (PubChem CID 155815094) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one
PubChem CID155815094
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one
SMILESCOc1ccc(-c2cc(Cc3cc(OC)c(OC)c(OC)c3)c(=O)[nH]n2)cc1
InChIInChI=1S/C21H22N2O5/c1-25-16-7-5-14(6-8-16)17-12-15(21(24)23-22-17)9-13-10-18(26-2)20(28-4)19(11-13)27-3/h5-8,10-12H,9H2,1-4H3,(H,23,24)
InChIKeySYEKIVDVZMAPNH-UHFFFAOYSA-N
XLogP3.06
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3,4-Dimethoxy-phenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 22337182
cis-4-(3,4-Dimethoxyphenyl)-4a,5,8,8a-tetrahydro-2H-phthalazin-1-one
CID 10935039
4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 22337173
2-phenyl-N'-(3,4,5-trimethoxybenzylidene)acetohydrazide
CID 6894112
6-(3,4-Dimethoxyphenyl)pyridazin-3-ol
CID 13136110
6-(4-fluorophenyl)-4-(4-methoxybenzyl)-3(2H)-pyridazinone
CID 2811501
3,4-dimethoxy-N-[(E)-1-phenylbutylideneamino]benzamide
CID 5979198
4-(3,4-dimethoxybenzyl)phthalazin-1(2H)-one
CID 749966
(4aS,8aR)-4-(3,4-dimethoxyphenyl)-4a,5,6,7,8,8a-hexahydro-2H-phthalazin-1-one
CID 10946130
(cis)-4-(3,4-dimethoxyphenyl)-4a,5,8,8a-tetrahydrophthalazin-1(2H)-one
CID 11044358
3-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-4,5-dihydro-1H-pyridazin-6-one
CID 5703451
3-(3,4-dimethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 317789

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one (CID 155815094) is 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one is COc1ccc(-c2cc(Cc3cc(OC)c(OC)c(OC)c3)c(=O)[nH]n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one?
The InChIKey is SYEKIVDVZMAPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-25-16-7-5-14(6-8-16)17-12-15(21(24)23-22-17)9-13-10-18(26-2)20(28-4)19(11-13)27-3/h5-8,10-12H,9H2,1-4H3,(H,23,24).
What are the key properties of 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one?
3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one has a molecular weight of 382.42 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyridazin-6-one is sourced from PubChem (CID 155815094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).