2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one

C19H27N3O2 — CID 57401094

IUPAC2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyMCRIGRHXRPURON-OAHLLOKOSA-N
MW329.44 g/mol
LogP2.90
Rot. Bonds6

About 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one

2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one (PubChem CID 57401094) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one
PubChem CID57401094
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one
SMILESC[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)CC2)cc1
InChIInChI=1S/C19H27N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1
InChIKeyMCRIGRHXRPURON-OAHLLOKOSA-N
XLogP2.90
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.90
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

1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]piperidin-2-one
CID 124565502
2-[(2,4-dichlorophenyl)methyl]-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydro-3H-pyridazine
CID 123462608
2-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 68715359
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 56663350
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991
3-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-5-pyridin-2-yl-4,5-dihydro-1H-pyridazin-6-one
CID 67009766
5-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-propan-2-ylpyridazin-3-one
CID 67010533
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684
4-chloro-1-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-6,7-dihydro-5H-cyclopenta[d]pyridazine
CID 74940813
1-[1-[4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyrazol-4-yl]pyrrolidin-2-one
CID 59541716

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one (CID 57401094) is 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one is C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)CC2)cc1.
What is the InChIKey of 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one?
The InChIKey is MCRIGRHXRPURON-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-15-5-3-12-22(15)13-4-14-24-17-8-6-16(7-9-17)18-10-11-19(23)21(2)20-18/h6-9,15H,3-5,10-14H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one?
2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one has a molecular weight of 329.44 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 57401094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).