3-(4-pentylphenyl)-6-phenylpyridazine

C21H22N2 — CID 21285334

IUPAC3-(4-pentylphenyl)-6-phenylpyridazine
SMILESCCCCCc1ccc(-c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N2/c1-2-3-5-8-17-11-13-19(14-12-17)21-16-15-20(22-23-21)18-9-6-4-7-10-18/h4,6-7,9-16H,2-3,5,8H2,1H3
InChIKeySDCGXJOCXQBEOY-UHFFFAOYSA-N
MW302.42 g/mol
LogP5.54
Rot. Bonds6

About 3-(4-pentylphenyl)-6-phenylpyridazine

3-(4-pentylphenyl)-6-phenylpyridazine (PubChem CID 21285334) has the molecular formula C21H22N2 and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-(4-pentylphenyl)-6-phenylpyridazine.

Molecular Properties

Compound Name3-(4-pentylphenyl)-6-phenylpyridazine
PubChem CID21285334
Molecular FormulaC21H22N2
Molecular Weight302.42 g/mol
Exact Mass302.18
IUPAC Name3-(4-pentylphenyl)-6-phenylpyridazine
SMILESCCCCCc1ccc(-c2ccc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C21H22N2/c1-2-3-5-8-17-11-13-19(14-12-17)21-16-15-20(22-23-21)18-9-6-4-7-10-18/h4,6-7,9-16H,2-3,5,8H2,1H3
InChIKeySDCGXJOCXQBEOY-UHFFFAOYSA-N
XLogP5.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.42
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-(4-pentylphenyl)-6-phenylpyridazine?
The IUPAC name of 3-(4-pentylphenyl)-6-phenylpyridazine (CID 21285334) is 3-(4-pentylphenyl)-6-phenylpyridazine.
What is the SMILES notation for 3-(4-pentylphenyl)-6-phenylpyridazine?
The canonical SMILES for 3-(4-pentylphenyl)-6-phenylpyridazine is CCCCCc1ccc(-c2ccc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 3-(4-pentylphenyl)-6-phenylpyridazine?
The InChIKey is SDCGXJOCXQBEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2/c1-2-3-5-8-17-11-13-19(14-12-17)21-16-15-20(22-23-21)18-9-6-4-7-10-18/h4,6-7,9-16H,2-3,5,8H2,1H3.
What are the key properties of 3-(4-pentylphenyl)-6-phenylpyridazine?
3-(4-pentylphenyl)-6-phenylpyridazine has a molecular weight of 302.42 g/mol, XLogP of 5.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pentylphenyl)-6-phenylpyridazine is sourced from PubChem (CID 21285334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).