5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one

C19H25N3O2 — CID 56885157

IUPAC5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(CCC2CCOC2)c(=O)c1
InChIInChI=1S/C19H25N3O2/c1-21(10-7-16-5-3-2-4-6-16)18-13-19(23)22(20-14-18)11-8-17-9-12-24-15-17/h2-6,13-14,17H,7-12,15H2,1H3
InChIKeyKLCDVDVPRBNZME-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.35
Rot. Bonds7

About 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one

5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one (PubChem CID 56885157) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
PubChem CID56885157
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one
SMILESCN(CCc1ccccc1)c1cnn(CCC2CCOC2)c(=O)c1
InChIInChI=1S/C19H25N3O2/c1-21(10-7-16-5-3-2-4-6-16)18-13-19(23)22(20-14-18)11-8-17-9-12-24-15-17/h2-6,13-14,17H,7-12,15H2,1H3
InChIKeyKLCDVDVPRBNZME-UHFFFAOYSA-N
XLogP2.35
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[methyl(2-phenylethyl)amino]-2-[[(2R)-oxan-2-yl]methyl]pyridazin-3-one
CID 28956134
5-[methyl(2-phenylethyl)amino]-2-(2-phenylsulfanylethyl)pyridazin-3-one
CID 56909974
5-[methyl(2-phenylethyl)amino]-2-[(1-methylpiperidin-2-yl)methyl]pyridazin-3-one
CID 72879270
5-[methyl(2-phenylethyl)amino]-2-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]pyridazin-3-one
CID 97284120
5-[methyl(2-phenylethyl)amino]-2-[[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]pyridazin-3-one
CID 72868473
N-ethyl-2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 56887820
2-[4-[methyl(2-phenylethyl)amino]-6-oxopyridazin-1-yl]-N-piperidin-3-ylacetamide
CID 45173924
2-[2-(1,3-dioxan-2-yl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114396265
2-[2-(2-hydroxycyclopentyl)ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114397146
5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
2-[2-(2-aminocyclopentyl)ethyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 114394778
2-[2-[2-(methylamino)cyclopentyl]ethyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 114395180

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The IUPAC name of 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one (CID 56885157) is 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one is CN(CCc1ccccc1)c1cnn(CCC2CCOC2)c(=O)c1.
What is the InChIKey of 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one?
The InChIKey is KLCDVDVPRBNZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(10-7-16-5-3-2-4-6-16)18-13-19(23)22(20-14-18)11-8-17-9-12-24-15-17/h2-6,13-14,17H,7-12,15H2,1H3.
What are the key properties of 5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one?
5-[methyl(2-phenylethyl)amino]-2-[2-(oxolan-3-yl)ethyl]pyridazin-3-one has a molecular weight of 327.43 g/mol, XLogP of 2.35, 7 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-[2-(oxolan-3-yl)ethyl]pyridazin-3-one is sourced from PubChem (CID 56885157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).