2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one

C15H18N2O2 — CID 52941823

IUPAC2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one
SMILESCn1nc(CCCOCc2ccccc2)ccc1=O
InChIInChI=1S/C15H18N2O2/c1-17-15(18)10-9-14(16-17)8-5-11-19-12-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3
InChIKeyMBPNIDIPSCXGPT-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds6

About 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one

2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one (PubChem CID 52941823) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one
PubChem CID52941823
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one
SMILESCn1nc(CCCOCc2ccccc2)ccc1=O
InChIInChI=1S/C15H18N2O2/c1-17-15(18)10-9-14(16-17)8-5-11-19-12-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3
InChIKeyMBPNIDIPSCXGPT-UHFFFAOYSA-N
XLogP1.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(benzyloxy)-2-methylpyridazin-3(2H)-one
CID 2927541
ethyl (E)-3-(1-methyl-6-oxo-3-phenylpyridazin-4-yl)prop-2-enoate
CID 24750051
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
2-Methyl-6-(phenylmethoxymethyl)pyridazin-3-one
CID 52945484
2-Methyl-6-(2-phenylmethoxyethyl)pyridazin-3-one
CID 52947898
6-Benzyl-2-methyl-5-phenylmethoxypyridazin-3-one
CID 145957716
(z)-N-(2-oxo-2h-pyridin-1-yl)-benzimidic acid methyl ester
CID 12678626
1-(2,5-Difluorophenyl)ethyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 47069427
(3-Fluorophenyl)methyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 55520819
(2-Fluorophenyl)methyl 1-methyl-6-oxopyridazine-3-carboxylate
CID 55521375

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one (CID 52941823) is 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one is Cn1nc(CCCOCc2ccccc2)ccc1=O.
What is the InChIKey of 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one?
The InChIKey is MBPNIDIPSCXGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-17-15(18)10-9-14(16-17)8-5-11-19-12-13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11-12H2,1H3.
What are the key properties of 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one?
2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one has a molecular weight of 258.32 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-phenylmethoxypropyl)pyridazin-3-one is sourced from PubChem (CID 52941823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).