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

C19H25N3O2 — CID 56663350

IUPAC5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-14-13-18(20-21-19(14)23)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyDTMJRGRXYMQQFI-OAHLLOKOSA-N
MW327.43 g/mol
LogP3.00
Rot. Bonds6

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

5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one (PubChem CID 56663350) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
PubChem CID56663350
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
SMILESCc1cc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n[nH]c1=O
InChIInChI=1S/C19H25N3O2/c1-14-13-18(20-21-19(14)23)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,21,23)/t15-/m1/s1
InChIKeyDTMJRGRXYMQQFI-OAHLLOKOSA-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'}

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Related Compounds

5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971
3-methyl-4-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one
CID 24995991
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
4-benzyl-2-methyl-6-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 59651910
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
4-[3-[(2S)-2-methylpyrrolidin-1-yl]propoxy]aniline
CID 57457557
3-chloro-6-[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]pyridazine
CID 143841531
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
(2R)-1-[3-[4-(4-fluorophenoxy)phenoxy]propyl]-2-methylpyrrolidine
CID 141409684

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one (CID 56663350) is 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one is Cc1cc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)n[nH]c1=O.
What is the InChIKey of 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
The InChIKey is DTMJRGRXYMQQFI-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-14-13-18(20-21-19(14)23)16-6-8-17(9-7-16)24-12-4-11-22-10-3-5-15(22)2/h6-9,13,15H,3-5,10-12H2,1-2H3,(H,21,23)/t15-/m1/s1.
What are the key properties of 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one?
5-methyl-3-[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 5-methyl-3-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 56663350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).