5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one

C16H21N3O — CID 67662189

IUPAC5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one
SMILESNCCCCCCc1ccc(-c2ccn[nH]c2=O)cc1
InChIInChI=1S/C16H21N3O/c17-11-4-2-1-3-5-13-6-8-14(9-7-13)15-10-12-18-19-16(15)20/h6-10,12H,1-5,11,17H2,(H,19,20)
InChIKeyPNFDGMSAGKUIHZ-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.50
Rot. Bonds7

About 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one

5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one (PubChem CID 67662189) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one
PubChem CID67662189
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one
SMILESNCCCCCCc1ccc(-c2ccn[nH]c2=O)cc1
InChIInChI=1S/C16H21N3O/c17-11-4-2-1-3-5-13-6-8-14(9-7-13)15-10-12-18-19-16(15)20/h6-10,12H,1-5,11,17H2,(H,19,20)
InChIKeyPNFDGMSAGKUIHZ-UHFFFAOYSA-N
XLogP2.50
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide
CID 67662188
N-[5-[4-(6-oxo-1H-pyridazin-5-yl)phenyl]pentyl]pyridine-3-carboxamide
CID 67662070
4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
6-(4-pyridazin-3-ylphenyl)hexan-1-amine
CID 140974870
10-(4-bromophenyl)decan-1-amine
CID 70564089
6-(4-propylphenyl)hexan-1-amine
CID 65300510
5-[4-(aminomethyl)-2,6-diethylphenyl]-1H-pyridazin-6-one
CID 174802216
4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine
CID 117308348
13-phenyltridecan-1-amine
CID 19801439
3-[4-(3-aminopropyl)phenyl]propan-1-amine;dihydrochloride
CID 22743257

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one?
The IUPAC name of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one (CID 67662189) is 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one?
The canonical SMILES for 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one is NCCCCCCc1ccc(-c2ccn[nH]c2=O)cc1.
What is the InChIKey of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one?
The InChIKey is PNFDGMSAGKUIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c17-11-4-2-1-3-5-13-6-8-14(9-7-13)15-10-12-18-19-16(15)20/h6-10,12H,1-5,11,17H2,(H,19,20).
What are the key properties of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one?
5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one has a molecular weight of 271.36 g/mol, XLogP of 2.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one is sourced from PubChem (CID 67662189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).