2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one

C19H18N2O2 — CID 118733863

IUPAC2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one
SMILESO=c1cc(COCc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c22-19-11-18(15-23-14-17-9-5-2-6-10-17)12-20-21(19)13-16-7-3-1-4-8-16/h1-12H,13-15H2
InChIKeyDYCNOLQVWXHJPX-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.01
Rot. Bonds6

About 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one

2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one (PubChem CID 118733863) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one
PubChem CID118733863
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one
SMILESO=c1cc(COCc2ccccc2)cnn1Cc1ccccc1
InChIInChI=1S/C19H18N2O2/c22-19-11-18(15-23-14-17-9-5-2-6-10-17)12-20-21(19)13-16-7-3-1-4-8-16/h1-12H,13-15H2
InChIKeyDYCNOLQVWXHJPX-UHFFFAOYSA-N
XLogP3.01
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,5-bis(4-methylphenyl)-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3107378
1-[5-(4-methylphenyl)-2-[4-(propan-2-yl)phenyl]-1,3,4-oxadiazol-3(2H)-yl]ethanone
CID 3897232
3-[4-[Benzyl(methyl)amino]butyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 134152668
1-[2-(4-fluorophenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 54579012
Dibenzyl 2-[(1-benzyl-6-oxopyridazin-4-yl)methylidene]propanedioate
CID 24748773
ethyl (E)-3-(1-benzyl-6-oxopyridazin-4-yl)prop-2-enoate
CID 24750056
ethyl (E)-3-(1-benzyl-6-oxopyridazin-4-yl)-2-methylprop-2-enoate
CID 24750169
2-Benzyl-6-(phenylmethoxymethyl)pyridazin-3-one
CID 50899359
2-Benzyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
CID 50899360
2-Benzyl-6-(3-phenylmethoxypropyl)pyridazin-3-one
CID 50899361
1-[(2R)-2-(4-methylphenyl)-5-phenyl-2H-1,3,4-oxadiazol-3-yl]ethanone
CID 53465288
1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
CID 10890805

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one (CID 118733863) is 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one is O=c1cc(COCc2ccccc2)cnn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one?
The InChIKey is DYCNOLQVWXHJPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19-11-18(15-23-14-17-9-5-2-6-10-17)12-20-21(19)13-16-7-3-1-4-8-16/h1-12H,13-15H2.
What are the key properties of 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one?
2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one has a molecular weight of 306.37 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(phenylmethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 118733863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).