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

C24H29N3 — CID 10316429

IUPACN-octyl-5,6-diphenylpyridazin-3-amine
SMILESCCCCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H29N3/c1-2-3-4-5-6-13-18-25-23-19-22(20-14-9-7-10-15-20)24(27-26-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,25,26)
InChIKeyJWGQYDRSKJXYBK-UHFFFAOYSA-N
MW359.52 g/mol
LogP6.58
Rot. Bonds10

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

N-octyl-5,6-diphenylpyridazin-3-amine (PubChem CID 10316429) has the molecular formula C24H29N3 and a molecular weight of 359.52 g/mol. Its IUPAC name is N-octyl-5,6-diphenylpyridazin-3-amine.

Molecular Properties

Compound NameN-octyl-5,6-diphenylpyridazin-3-amine
PubChem CID10316429
Molecular FormulaC24H29N3
Molecular Weight359.52 g/mol
Exact Mass359.24
IUPAC NameN-octyl-5,6-diphenylpyridazin-3-amine
SMILESCCCCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C24H29N3/c1-2-3-4-5-6-13-18-25-23-19-22(20-14-9-7-10-15-20)24(27-26-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,25,26)
InChIKeyJWGQYDRSKJXYBK-UHFFFAOYSA-N
XLogP6.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.52
LogP ≤ 56.58
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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Frequently Asked Questions

What is the IUPAC name of N-octyl-5,6-diphenylpyridazin-3-amine?
The IUPAC name of N-octyl-5,6-diphenylpyridazin-3-amine (CID 10316429) is N-octyl-5,6-diphenylpyridazin-3-amine.
What is the SMILES notation for N-octyl-5,6-diphenylpyridazin-3-amine?
The canonical SMILES for N-octyl-5,6-diphenylpyridazin-3-amine is CCCCCCCCNc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of N-octyl-5,6-diphenylpyridazin-3-amine?
The InChIKey is JWGQYDRSKJXYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3/c1-2-3-4-5-6-13-18-25-23-19-22(20-14-9-7-10-15-20)24(27-26-23)21-16-11-8-12-17-21/h7-12,14-17,19H,2-6,13,18H2,1H3,(H,25,26).
What are the key properties of N-octyl-5,6-diphenylpyridazin-3-amine?
N-octyl-5,6-diphenylpyridazin-3-amine has a molecular weight of 359.52 g/mol, XLogP of 6.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-octyl-5,6-diphenylpyridazin-3-amine is sourced from PubChem (CID 10316429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).