3-(4-heptoxyphenyl)-6-heptylpyridazine

C24H36N2O — CID 19103365

IUPAC3-(4-heptoxyphenyl)-6-heptylpyridazine
SMILESCCCCCCCOc1ccc(-c2ccc(CCCCCCC)nn2)cc1
InChIInChI=1S/C24H36N2O/c1-3-5-7-9-11-13-22-16-19-24(26-25-22)21-14-17-23(18-15-21)27-20-12-10-8-6-4-2/h14-19H,3-13,20H2,1-2H3
InChIKeyCOAYECRLEWBCAA-UHFFFAOYSA-N
MW368.56 g/mol
LogP7.01
Rot. Bonds14

About 3-(4-heptoxyphenyl)-6-heptylpyridazine

3-(4-heptoxyphenyl)-6-heptylpyridazine (PubChem CID 19103365) has the molecular formula C24H36N2O and a molecular weight of 368.56 g/mol. Its IUPAC name is 3-(4-heptoxyphenyl)-6-heptylpyridazine.

Molecular Properties

Compound Name3-(4-heptoxyphenyl)-6-heptylpyridazine
PubChem CID19103365
Molecular FormulaC24H36N2O
Molecular Weight368.56 g/mol
Exact Mass368.28
IUPAC Name3-(4-heptoxyphenyl)-6-heptylpyridazine
SMILESCCCCCCCOc1ccc(-c2ccc(CCCCCCC)nn2)cc1
InChIInChI=1S/C24H36N2O/c1-3-5-7-9-11-13-22-16-19-24(26-25-22)21-14-17-23(18-15-21)27-20-12-10-8-6-4-2/h14-19H,3-13,20H2,1-2H3
InChIKeyCOAYECRLEWBCAA-UHFFFAOYSA-N
XLogP7.01
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.56
LogP ≤ 57.01
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 3-(4-heptoxyphenyl)-6-heptylpyridazine?
The IUPAC name of 3-(4-heptoxyphenyl)-6-heptylpyridazine (CID 19103365) is 3-(4-heptoxyphenyl)-6-heptylpyridazine.
What is the SMILES notation for 3-(4-heptoxyphenyl)-6-heptylpyridazine?
The canonical SMILES for 3-(4-heptoxyphenyl)-6-heptylpyridazine is CCCCCCCOc1ccc(-c2ccc(CCCCCCC)nn2)cc1.
What is the InChIKey of 3-(4-heptoxyphenyl)-6-heptylpyridazine?
The InChIKey is COAYECRLEWBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O/c1-3-5-7-9-11-13-22-16-19-24(26-25-22)21-14-17-23(18-15-21)27-20-12-10-8-6-4-2/h14-19H,3-13,20H2,1-2H3.
What are the key properties of 3-(4-heptoxyphenyl)-6-heptylpyridazine?
3-(4-heptoxyphenyl)-6-heptylpyridazine has a molecular weight of 368.56 g/mol, XLogP of 7.01, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-heptoxyphenyl)-6-heptylpyridazine is sourced from PubChem (CID 19103365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).