5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one

C19H25N3O2 — CID 28956134

IUPAC5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(C[C@H]2CCCCO2)c(=O)c1
InChIInChI=1S/C19H25N3O2/c1-21(11-10-16-7-3-2-4-8-16)17-13-19(23)22(20-14-17)15-18-9-5-6-12-24-18/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m1/s1
InChIKeyGFIIONNOCZMOGV-GOSISDBHSA-N
MW327.43 g/mol
LogP2.49
Rot. Bonds6

About 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one

5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one (PubChem CID 28956134) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
PubChem CID28956134
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(C[C@H]2CCCCO2)c(=O)c1
InChIInChI=1S/C19H25N3O2/c1-21(11-10-16-7-3-2-4-8-16)17-13-19(23)22(20-14-17)15-18-9-5-6-12-24-18/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m1/s1
InChIKeyGFIIONNOCZMOGV-GOSISDBHSA-N
XLogP2.49
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
CID 72879270
5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
CID 72868473
5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
CID 56885157
5-[methyl(2-phenylethyl)amino]-2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridazin-3-one
CID 97284120
2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
CID 45173924
N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 56887820
5-(dimethylamino)-2-(oxiran-2-ylmethyl)pyridazin-3-one
CID 114395499
2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methyl-N-[[(2S)-oxan-2-yl]methyl]acetamide
CID 97277530
2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396265
5-(dimethylamino)-2-(morpholin-2-ylmethyl)pyridazin-3-one
CID 114395880
5-(dimethylamino)-2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 45195111
5-(cyclobutylamino)-2-(oxolan-2-ylmethyl)pyridazin-3-one
CID 103220570

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one (CID 28956134) is 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one is CN(CCc1ccccc1)c1cnn(C[C@H]2CCCCO2)c(=O)c1.
What is the InChIKey of 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one?
The InChIKey is GFIIONNOCZMOGV-GOSISDBHSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(11-10-16-7-3-2-4-8-16)17-13-19(23)22(20-14-17)15-18-9-5-6-12-24-18/h2-4,7-8,13-14,18H,5-6,9-12,15H2,1H3/t18-/m1/s1.
What are the key properties of 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one?
5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one has a molecular weight of 327.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 28956134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).