N-hexyl-5,6-diphenylpyridazin-3-amine

C22H25N3 — CID 11110352

IUPACN-hexyl-5,6-diphenylpyridazin-3-amine
SMILESCCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C22H25N3/c1-2-3-4-11-16-23-21-17-20(18-12-7-5-8-13-18)22(25-24-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,23,24)
InChIKeyJUMKPLUQMBWMSK-UHFFFAOYSA-N
MW331.46 g/mol
LogP5.80
Rot. Bonds8

About N-hexyl-5,6-diphenylpyridazin-3-amine

N-hexyl-5,6-diphenylpyridazin-3-amine (PubChem CID 11110352) has the molecular formula C22H25N3 and a molecular weight of 331.46 g/mol. Its IUPAC name is N-hexyl-5,6-diphenylpyridazin-3-amine.

Molecular Properties

Compound NameN-hexyl-5,6-diphenylpyridazin-3-amine
PubChem CID11110352
Molecular FormulaC22H25N3
Molecular Weight331.46 g/mol
Exact Mass331.20
IUPAC NameN-hexyl-5,6-diphenylpyridazin-3-amine
SMILESCCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C22H25N3/c1-2-3-4-11-16-23-21-17-20(18-12-7-5-8-13-18)22(25-24-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,23,24)
InChIKeyJUMKPLUQMBWMSK-UHFFFAOYSA-N
XLogP5.80
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.46
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-heptylphenyl)-5,6-diphenylpyridazin-3-amine
CID 10971868
6-heptylsulfanyl-3,4-diphenylpyridazine
CID 11035840
6-octylsulfinyl-3,4-diphenylpyridazine
CID 10971237
4-N-pentyl-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879234
N'-methyl-N-(5-methyl-6-phenylpyridazin-3-yl)-N'-phenylpentane-1,5-diamine
CID 59867559
N-decyl-6-methyl-2-(4-phenylphenyl)pyrimidin-4-amine
CID 59340782
N-pentyl-3-phenylquinolin-2-amine
CID 68572649
N-nonadecylaniline
CID 54509054
5-bromo-N-pentyl-2-phenylaniline
CID 156564317
2-(octadecylamino)-6-phenylphenol
CID 138395030
1,1'-biphenyl;hexadecane
CID 173308514
N-heptylaniline;hydrate
CID 174886464

Frequently Asked Questions

What is the IUPAC name of N-hexyl-5,6-diphenylpyridazin-3-amine?
The IUPAC name of N-hexyl-5,6-diphenylpyridazin-3-amine (CID 11110352) is N-hexyl-5,6-diphenylpyridazin-3-amine.
What is the SMILES notation for N-hexyl-5,6-diphenylpyridazin-3-amine?
The canonical SMILES for N-hexyl-5,6-diphenylpyridazin-3-amine is CCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of N-hexyl-5,6-diphenylpyridazin-3-amine?
The InChIKey is JUMKPLUQMBWMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3/c1-2-3-4-11-16-23-21-17-20(18-12-7-5-8-13-18)22(25-24-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3,(H,23,24).
What are the key properties of N-hexyl-5,6-diphenylpyridazin-3-amine?
N-hexyl-5,6-diphenylpyridazin-3-amine has a molecular weight of 331.46 g/mol, XLogP of 5.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-5,6-diphenylpyridazin-3-amine is sourced from PubChem (CID 11110352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).