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

C16H22BrN3O — CID 67662188

IUPAC5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide
SMILESBr.NCCCCCCc1ccc(-c2ccn[nH]c2=O)cc1
InChIInChI=1S/C16H21N3O.BrH/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);1H
InChIKeyVUIPFZQCKAKLLG-UHFFFAOYSA-N
MW352.28 g/mol
LogP3.08
Rot. Bonds7

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

5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide (PubChem CID 67662188) has the molecular formula C16H22BrN3O and a molecular weight of 352.28 g/mol. Its IUPAC name is 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide.

Molecular Properties

Compound Name5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide
PubChem CID67662188
Molecular FormulaC16H22BrN3O
Molecular Weight352.28 g/mol
Exact Mass351.09
IUPAC Name5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide
SMILESBr.NCCCCCCc1ccc(-c2ccn[nH]c2=O)cc1
InChIInChI=1S/C16H21N3O.BrH/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);1H
InChIKeyVUIPFZQCKAKLLG-UHFFFAOYSA-N
XLogP3.08
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 53.08
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
CID 67662189
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
N'-[[4-(5-aminopentyl)phenyl]methyl]propane-1,3-diamine
CID 58260406

Frequently Asked Questions

What is the IUPAC name of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide?
The IUPAC name of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide (CID 67662188) is 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide.
What is the SMILES notation for 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide?
The canonical SMILES for 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide is Br.NCCCCCCc1ccc(-c2ccn[nH]c2=O)cc1.
What is the InChIKey of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide?
The InChIKey is VUIPFZQCKAKLLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.BrH/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);1H.
What are the key properties of 5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide?
5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide has a molecular weight of 352.28 g/mol, XLogP of 3.08, 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;hydrobromide is sourced from PubChem (CID 67662188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).