2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one

C18H23N3O2 — CID 143618011

IUPAC2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCn1ncc(-c2ccc(OCCCN3CCCC3)cc2)cc1=O
InChIInChI=1S/C18H23N3O2/c1-20-18(22)13-16(14-19-20)15-5-7-17(8-6-15)23-12-4-11-21-9-2-3-10-21/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyHUBMIUABGNULSR-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.31
Rot. Bonds6

About 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one

2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one (PubChem CID 143618011) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
PubChem CID143618011
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one
SMILESCn1ncc(-c2ccc(OCCCN3CCCC3)cc2)cc1=O
InChIInChI=1S/C18H23N3O2/c1-20-18(22)13-16(14-19-20)15-5-7-17(8-6-15)23-12-4-11-21-9-2-3-10-21/h5-8,13-14H,2-4,9-12H2,1H3
InChIKeyHUBMIUABGNULSR-UHFFFAOYSA-N
XLogP2.31
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-[3-[4-[4-(3-piperidin-1-ylpropoxy)phenyl]phenoxy]propyl]piperidine
CID 11949666
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
5-methyl-3-[4-(3-piperidin-1-ylpropoxy)phenyl]-1H-pyridazin-6-one
CID 59651971
4-benzyl-2-methyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridazin-3-one
CID 59651922
2-ethyl-5-[4-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]phenyl]pyridazin-3-one
CID 68715359
5-[4-[3-(2-methylpyrrolidin-1-yl)propoxy]phenyl]-2-propan-2-ylpyridazin-3-one
CID 67010533
1-(difluoromethyl)-5-[4-(3-piperidin-1-ylpropoxy)phenyl]pyridin-2-one
CID 11660535
3,4-dimethyl-6-[4-(3-piperidin-1-ylpropoxy)phenyl]quinoline
CID 145305813
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67281880
1-[5-(4-phenylphenoxy)pentyl]pyrrolidine
CID 11857856
2-methyl-5-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 129451930
1-[3-[4-[1,3-bis(4-methoxyphenyl)pyrazol-5-yl]phenoxy]propyl]piperidine
CID 138740460

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The IUPAC name of 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one (CID 143618011) is 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one.
What is the SMILES notation for 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The canonical SMILES for 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one is Cn1ncc(-c2ccc(OCCCN3CCCC3)cc2)cc1=O.
What is the InChIKey of 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one?
The InChIKey is HUBMIUABGNULSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-20-18(22)13-16(14-19-20)15-5-7-17(8-6-15)23-12-4-11-21-9-2-3-10-21/h5-8,13-14H,2-4,9-12H2,1H3.
What are the key properties of 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one?
2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one has a molecular weight of 313.40 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(3-pyrrolidin-1-ylpropoxy)phenyl]pyridazin-3-one is sourced from PubChem (CID 143618011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).