3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one

C19H25N3O2 — CID 67010475

IUPAC3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OCCCNCC3CCCC3)cc2)n[nH]1
InChIInChI=1S/C19H25N3O2/c23-19-11-10-18(21-22-19)16-6-8-17(9-7-16)24-13-3-12-20-14-15-4-1-2-5-15/h6-11,15,20H,1-5,12-14H2,(H,22,23)
InChIKeyMZZZNLUCFXXVNX-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.99
Rot. Bonds8

About 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one

3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one (PubChem CID 67010475) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one
PubChem CID67010475
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(OCCCNCC3CCCC3)cc2)n[nH]1
InChIInChI=1S/C19H25N3O2/c23-19-11-10-18(21-22-19)16-6-8-17(9-7-16)24-13-3-12-20-14-15-4-1-2-5-15/h6-11,15,20H,1-5,12-14H2,(H,22,23)
InChIKeyMZZZNLUCFXXVNX-UHFFFAOYSA-N
XLogP2.99
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one (CID 67010475) is 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(OCCCNCC3CCCC3)cc2)n[nH]1.
What is the InChIKey of 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one?
The InChIKey is MZZZNLUCFXXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-19-11-10-18(21-22-19)16-6-8-17(9-7-16)24-13-3-12-20-14-15-4-1-2-5-15/h6-11,15,20H,1-5,12-14H2,(H,22,23).
What are the key properties of 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one?
3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one has a molecular weight of 327.43 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(cyclopentylmethylamino)propoxy]phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 67010475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).