6-(4-pyridazin-3-ylphenyl)hexan-1-amine

C16H21N3 — CID 140974870

IUPAC6-(4-pyridazin-3-ylphenyl)hexan-1-amine
SMILESNCCCCCCc1ccc(-c2cccnn2)cc1
InChIInChI=1S/C16H21N3/c17-12-4-2-1-3-6-14-8-10-15(11-9-14)16-7-5-13-18-19-16/h5,7-11,13H,1-4,6,12,17H2
InChIKeyPZVRIRPRULJNAP-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.21
Rot. Bonds7

About 6-(4-pyridazin-3-ylphenyl)hexan-1-amine

6-(4-pyridazin-3-ylphenyl)hexan-1-amine (PubChem CID 140974870) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 6-(4-pyridazin-3-ylphenyl)hexan-1-amine.

Molecular Properties

Compound Name6-(4-pyridazin-3-ylphenyl)hexan-1-amine
PubChem CID140974870
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name6-(4-pyridazin-3-ylphenyl)hexan-1-amine
SMILESNCCCCCCc1ccc(-c2cccnn2)cc1
InChIInChI=1S/C16H21N3/c17-12-4-2-1-3-6-14-8-10-15(11-9-14)16-7-5-13-18-19-16/h5,7-11,13H,1-4,6,12,17H2
InChIKeyPZVRIRPRULJNAP-UHFFFAOYSA-N
XLogP3.21
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-pyridazin-3-ylphenyl)hexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[4-(4-aminobutyl)phenyl]butan-1-amine
CID 13016028
13-phenyltridecan-1-amine
CID 19801439
(2S)-2-amino-3-(4-pyridazin-3-ylphenyl)propanoic acid
CID 172530060
4-(4-pyridazin-3-ylphenyl)but-2-enal
CID 173203150
10-(4-bromophenyl)decan-1-amine
CID 70564089
6-(4-propylphenyl)hexan-1-amine
CID 65300510
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
4-[4-(1,3-oxazol-2-yl)phenyl]butan-1-amine
CID 117308348
[4-(4-aminobutyl)phenyl]methanol
CID 11550093
4-phenylbutan-1-amine;hydrochloride
CID 44630065
5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one
CID 67662189
5-[4-(6-aminohexyl)phenyl]-1H-pyridazin-6-one;hydrobromide
CID 67662188

Frequently Asked Questions

What is the IUPAC name of 6-(4-pyridazin-3-ylphenyl)hexan-1-amine?
The IUPAC name of 6-(4-pyridazin-3-ylphenyl)hexan-1-amine (CID 140974870) is 6-(4-pyridazin-3-ylphenyl)hexan-1-amine.
What is the SMILES notation for 6-(4-pyridazin-3-ylphenyl)hexan-1-amine?
The canonical SMILES for 6-(4-pyridazin-3-ylphenyl)hexan-1-amine is NCCCCCCc1ccc(-c2cccnn2)cc1.
What is the InChIKey of 6-(4-pyridazin-3-ylphenyl)hexan-1-amine?
The InChIKey is PZVRIRPRULJNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c17-12-4-2-1-3-6-14-8-10-15(11-9-14)16-7-5-13-18-19-16/h5,7-11,13H,1-4,6,12,17H2.
What are the key properties of 6-(4-pyridazin-3-ylphenyl)hexan-1-amine?
6-(4-pyridazin-3-ylphenyl)hexan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-pyridazin-3-ylphenyl)hexan-1-amine is sourced from PubChem (CID 140974870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).