2-benzyl-6-phenylmethoxypyridazin-3-one

C18H16N2O2 — CID 1397952

IUPAC2-benzyl-6-phenylmethoxypyridazin-3-one
SMILESO=c1ccc(OCc2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c21-18-12-11-17(22-14-16-9-5-2-6-10-16)19-20(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyHPNWHKZQWFIZAV-UHFFFAOYSA-N
MW292.34 g/mol
LogP2.87
Rot. Bonds5

About 2-benzyl-6-phenylmethoxypyridazin-3-one

2-benzyl-6-phenylmethoxypyridazin-3-one (PubChem CID 1397952) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-benzyl-6-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-phenylmethoxypyridazin-3-one
PubChem CID1397952
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name2-benzyl-6-phenylmethoxypyridazin-3-one
SMILESO=c1ccc(OCc2ccccc2)nn1Cc1ccccc1
InChIInChI=1S/C18H16N2O2/c21-18-12-11-17(22-14-16-9-5-2-6-10-16)19-20(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2
InChIKeyHPNWHKZQWFIZAV-UHFFFAOYSA-N
XLogP2.87
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-phenylmethoxypyridazin-3-one?
The IUPAC name of 2-benzyl-6-phenylmethoxypyridazin-3-one (CID 1397952) is 2-benzyl-6-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-phenylmethoxypyridazin-3-one?
The canonical SMILES for 2-benzyl-6-phenylmethoxypyridazin-3-one is O=c1ccc(OCc2ccccc2)nn1Cc1ccccc1.
What is the InChIKey of 2-benzyl-6-phenylmethoxypyridazin-3-one?
The InChIKey is HPNWHKZQWFIZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18-12-11-17(22-14-16-9-5-2-6-10-16)19-20(18)13-15-7-3-1-4-8-15/h1-12H,13-14H2.
What are the key properties of 2-benzyl-6-phenylmethoxypyridazin-3-one?
2-benzyl-6-phenylmethoxypyridazin-3-one has a molecular weight of 292.34 g/mol, XLogP of 2.87, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 1397952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).