6-hexoxy-3,4-diphenylpyridazine

C22H24N2O — CID 10925614

IUPAC6-hexoxy-3,4-diphenylpyridazine
SMILESCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C22H24N2O/c1-2-3-4-11-16-25-21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
InChIKeyGSVXNWWOLKQSNC-UHFFFAOYSA-N
MW332.45 g/mol
LogP5.77
Rot. Bonds8

About 6-hexoxy-3,4-diphenylpyridazine

6-hexoxy-3,4-diphenylpyridazine (PubChem CID 10925614) has the molecular formula C22H24N2O and a molecular weight of 332.45 g/mol. Its IUPAC name is 6-hexoxy-3,4-diphenylpyridazine.

Molecular Properties

Compound Name6-hexoxy-3,4-diphenylpyridazine
PubChem CID10925614
Molecular FormulaC22H24N2O
Molecular Weight332.45 g/mol
Exact Mass332.19
IUPAC Name6-hexoxy-3,4-diphenylpyridazine
SMILESCCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1
InChIInChI=1S/C22H24N2O/c1-2-3-4-11-16-25-21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3
InChIKeyGSVXNWWOLKQSNC-UHFFFAOYSA-N
XLogP5.77
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.45
LogP ≤ 55.77
H-Bond Donors ≤ 50
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 6-hexoxy-3,4-diphenylpyridazine?
The IUPAC name of 6-hexoxy-3,4-diphenylpyridazine (CID 10925614) is 6-hexoxy-3,4-diphenylpyridazine.
What is the SMILES notation for 6-hexoxy-3,4-diphenylpyridazine?
The canonical SMILES for 6-hexoxy-3,4-diphenylpyridazine is CCCCCCOc1cc(-c2ccccc2)c(-c2ccccc2)nn1.
What is the InChIKey of 6-hexoxy-3,4-diphenylpyridazine?
The InChIKey is GSVXNWWOLKQSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O/c1-2-3-4-11-16-25-21-17-20(18-12-7-5-8-13-18)22(24-23-21)19-14-9-6-10-15-19/h5-10,12-15,17H,2-4,11,16H2,1H3.
What are the key properties of 6-hexoxy-3,4-diphenylpyridazine?
6-hexoxy-3,4-diphenylpyridazine has a molecular weight of 332.45 g/mol, XLogP of 5.77, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-3,4-diphenylpyridazine is sourced from PubChem (CID 10925614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).