2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one

C16H18N2O3 — CID 67007395

IUPAC2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one
SMILESO=c1cc(OCc2ccccc2)cnn1C1CCCCO1
InChIInChI=1S/C16H18N2O3/c19-15-10-14(21-12-13-6-2-1-3-7-13)11-17-18(15)16-8-4-5-9-20-16/h1-3,6-7,10-11,16H,4-5,8-9,12H2
InChIKeyFTYGLWCXJQWQKS-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.52
Rot. Bonds4

About 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one

2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one (PubChem CID 67007395) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one.

Molecular Properties

Compound Name2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one
PubChem CID67007395
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one
SMILESO=c1cc(OCc2ccccc2)cnn1C1CCCCO1
InChIInChI=1S/C16H18N2O3/c19-15-10-14(21-12-13-6-2-1-3-7-13)11-17-18(15)16-8-4-5-9-20-16/h1-3,6-7,10-11,16H,4-5,8-9,12H2
InChIKeyFTYGLWCXJQWQKS-UHFFFAOYSA-N
XLogP2.52
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(tert-butyl)-5-((4-((2-fluoroethoxy)benzyl)oxy)-4-methylpyridazin-3(2H)-one
CID 75192645
2-Benzyl-5-(phenylmethoxymethyl)pyridazin-3-one
CID 118733863
2-benzyl-5-(benzyloxy)-4-bromopyridazin-3(2H)-one
CID 46887066
4-Chloro-2-cyclohexyl-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]pyridazin-3-one
CID 73293081
2-(tert-butyl)-5-((4-((2-fluoroethoxy)methyl)benzyl)oxy)pyridazin-3(2H)-one
CID 73293082
2-Tert-butyl-5-[[4-(2-fluoroethoxymethyl)phenyl]methoxy]-4-propan-2-ylpyridazin-3-one
CID 90062694
2-tert-Butyl-4-chloro-5-[4-(2-[18F]fluoro-ethoxymethyl)-benzyloxy]-3-(2H)-pyridazinone
CID 46398846
4-Bromo-5-[(2,4-difluorophenyl)methoxy]-2-[3-(dimethylamino)propyl]pyridazin-3-one
CID 10237689
2-t-butyl-5-(p-fluorobenzyloxy)-4-methyl-3(2H)-pyridazinone
CID 13825137
2-Benzyl-4-bromo-5-[(4-fluorophenyl)methoxy]pyridazin-3-one
CID 60102650
5-(4-Fluoro-benzyloxy)-2-(tetrahydro-pyran-2-yl)-2H-pyridazin-3-one
CID 67007419
CID 89160969
CID 89160969

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one?
The IUPAC name of 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one (CID 67007395) is 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one.
What is the SMILES notation for 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one?
The canonical SMILES for 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one is O=c1cc(OCc2ccccc2)cnn1C1CCCCO1.
What is the InChIKey of 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one?
The InChIKey is FTYGLWCXJQWQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-15-10-14(21-12-13-6-2-1-3-7-13)11-17-18(15)16-8-4-5-9-20-16/h1-3,6-7,10-11,16H,4-5,8-9,12H2.
What are the key properties of 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one?
2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one has a molecular weight of 286.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-5-phenylmethoxypyridazin-3-one is sourced from PubChem (CID 67007395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).