6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine

C19H20N4 — CID 123702165

IUPAC6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine
SMILESNc1cccc(-c2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N4/c20-17-10-4-9-16(14-17)18-11-12-19(23-22-18)21-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-12,14H,5,8,13,20H2,(H,21,23)
InChIKeyIETCAMUCIHTAKV-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.77
Rot. Bonds6

About 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine

6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine (PubChem CID 123702165) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine
PubChem CID123702165
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine
SMILESNc1cccc(-c2ccc(NCCCc3ccccc3)nn2)c1
InChIInChI=1S/C19H20N4/c20-17-10-4-9-16(14-17)18-11-12-19(23-22-18)21-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-12,14H,5,8,13,20H2,(H,21,23)
InChIKeyIETCAMUCIHTAKV-UHFFFAOYSA-N
XLogP3.77
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-phenylpyridazin-3-yl)amino]propan-1-ol
CID 29133545
3-[1-(3-phenylpropyl)triazol-4-yl]aniline
CID 141429766
3-[[6-(3-methylphenyl)pyridazin-3-yl]amino]propan-1-ol
CID 116971327
N-methyl-N'-[6-(3-methylphenyl)pyridazin-3-yl]propane-1,3-diamine
CID 116970734
3-N-(5-phenylpentyl)benzene-1,3-diamine
CID 59708329
N-(2-phenylethyl)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)pyridazin-3-amine
CID 53004483
6-(3-aminophenyl)-N-benzyl-N-ethylpyridazin-3-amine
CID 58525230
2-ethyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]butanamide
CID 113044086
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516
3-methyl-N-[6-(3-phenylpropylamino)pyridazin-3-yl]benzamide
CID 113044091
N'-[6-(3,4-difluorophenyl)pyridazin-3-yl]ethane-1,2-diamine
CID 116970403
2-chloro-1-N-(3-phenylpropyl)benzene-1,4-diamine
CID 54944572

Frequently Asked Questions

What is the IUPAC name of 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine?
The IUPAC name of 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine (CID 123702165) is 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine.
What is the SMILES notation for 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine?
The canonical SMILES for 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine is Nc1cccc(-c2ccc(NCCCc3ccccc3)nn2)c1.
What is the InChIKey of 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine?
The InChIKey is IETCAMUCIHTAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c20-17-10-4-9-16(14-17)18-11-12-19(23-22-18)21-13-5-8-15-6-2-1-3-7-15/h1-4,6-7,9-12,14H,5,8,13,20H2,(H,21,23).
What are the key properties of 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine?
6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine has a molecular weight of 304.40 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminophenyl)-N-(3-phenylpropyl)pyridazin-3-amine is sourced from PubChem (CID 123702165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).