3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one

C19H25N3O2 — CID 24995991

IUPAC3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCC[C@H]2C)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyOVNSLCAMMBQZNV-CQSZACIVSA-N
MW327.43 g/mol
LogP3.00
Rot. Bonds6

About 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one

3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one (PubChem CID 24995991) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
PubChem CID24995991
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCC[C@H]2C)cc1
InChIInChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1
InChIKeyOVNSLCAMMBQZNV-CQSZACIVSA-N
XLogP3.00
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
8-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-5,6-dihydro-3H-benzo[f]cinnolin-2-one
CID 24994745
4-benzyl-2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 59651910
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one
CID 57401094
2-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 68715359
3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one
CID 67009766
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
5-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-propan-2-ylpyridazin-3-one
CID 67010533
2-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6-phenylpyridazin-3-one
CID 67010937
2-benzyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 53363720

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one (CID 24995991) is 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one is Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCC[C@H]2C)cc1.
What is the InChIKey of 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
The InChIKey is OVNSLCAMMBQZNV-CQSZACIVSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-5-3-10-22(14)11-4-12-24-17-8-6-16(7-9-17)18-13-19(23)21-20-15(18)2/h6-9,13-14H,3-5,10-12H2,1-2H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one has a molecular weight of 327.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 24995991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).