3-octoxy-5-(3-pentoxyphenyl)pyridazine

C23H34N2O2 — CID 19103382

IUPAC3-octoxy-5-(3-pentoxyphenyl)pyridazine
SMILESCCCCCCCCOc1cc(-c2cccc(OCCCCC)c2)cnn1
InChIInChI=1S/C23H34N2O2/c1-3-5-7-8-9-11-16-27-23-18-21(19-24-25-23)20-13-12-14-22(17-20)26-15-10-6-4-2/h12-14,17-19H,3-11,15-16H2,1-2H3
InChIKeyDBNRRMYSBNTFTB-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.45
Rot. Bonds14

About 3-octoxy-5-(3-pentoxyphenyl)pyridazine

3-octoxy-5-(3-pentoxyphenyl)pyridazine (PubChem CID 19103382) has the molecular formula C23H34N2O2 and a molecular weight of 370.54 g/mol. Its IUPAC name is 3-octoxy-5-(3-pentoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-octoxy-5-(3-pentoxyphenyl)pyridazine
PubChem CID19103382
Molecular FormulaC23H34N2O2
Molecular Weight370.54 g/mol
Exact Mass370.26
IUPAC Name3-octoxy-5-(3-pentoxyphenyl)pyridazine
SMILESCCCCCCCCOc1cc(-c2cccc(OCCCCC)c2)cnn1
InChIInChI=1S/C23H34N2O2/c1-3-5-7-8-9-11-16-27-23-18-21(19-24-25-23)20-13-12-14-22(17-20)26-15-10-6-4-2/h12-14,17-19H,3-11,15-16H2,1-2H3
InChIKeyDBNRRMYSBNTFTB-UHFFFAOYSA-N
XLogP6.45
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-hexoxy-5-(3-hexoxyphenyl)pyridazine
CID 19103412
1,3-dihexadecoxybenzene
CID 12686834
4-(3-octadecoxyphenyl)phenol
CID 91091323
2-(3-hexoxyphenyl)-5-(4-hexoxyphenyl)pyrimidine
CID 19386230
1-oxido-4-(3-undecoxyphenyl)pyridin-1-ium
CID 156692937
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
1-hexoxy-3-[4-[(Z)-prop-1-enyl]phenyl]benzene;hydroiodide
CID 142267650
1-nitro-3-octoxybenzene
CID 3442932
(2R)-1-[[4-(3-undecoxyphenyl)-2-pyridinyl]amino]propan-2-ol
CID 156692842
2-(4-octoxyphenyl)-5-(3-phenylmethoxyphenyl)pyrimidine
CID 19386221
3,4,11,12-tetrakis(3-dodecoxyphenyl)pentacyclo[8.6.1.12,5.013,17.09,18]octadeca-1,3,5,7,9(18),10(17),11,13,15-nonaene
CID 132513797

Frequently Asked Questions

What is the IUPAC name of 3-octoxy-5-(3-pentoxyphenyl)pyridazine?
The IUPAC name of 3-octoxy-5-(3-pentoxyphenyl)pyridazine (CID 19103382) is 3-octoxy-5-(3-pentoxyphenyl)pyridazine.
What is the SMILES notation for 3-octoxy-5-(3-pentoxyphenyl)pyridazine?
The canonical SMILES for 3-octoxy-5-(3-pentoxyphenyl)pyridazine is CCCCCCCCOc1cc(-c2cccc(OCCCCC)c2)cnn1.
What is the InChIKey of 3-octoxy-5-(3-pentoxyphenyl)pyridazine?
The InChIKey is DBNRRMYSBNTFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O2/c1-3-5-7-8-9-11-16-27-23-18-21(19-24-25-23)20-13-12-14-22(17-20)26-15-10-6-4-2/h12-14,17-19H,3-11,15-16H2,1-2H3.
What are the key properties of 3-octoxy-5-(3-pentoxyphenyl)pyridazine?
3-octoxy-5-(3-pentoxyphenyl)pyridazine has a molecular weight of 370.54 g/mol, XLogP of 6.45, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-octoxy-5-(3-pentoxyphenyl)pyridazine is sourced from PubChem (CID 19103382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).