3-hexoxy-5-(3-hexoxyphenyl)pyridazine

C22H32N2O2 — CID 19103412

IUPAC3-hexoxy-5-(3-hexoxyphenyl)pyridazine
SMILESCCCCCCOc1cccc(-c2cnnc(OCCCCCC)c2)c1
InChIInChI=1S/C22H32N2O2/c1-3-5-7-9-14-25-21-13-11-12-19(16-21)20-17-22(24-23-18-20)26-15-10-8-6-4-2/h11-13,16-18H,3-10,14-15H2,1-2H3
InChIKeyUVGSCYOOUQDEAR-UHFFFAOYSA-N
MW356.51 g/mol
LogP6.06
Rot. Bonds13

About 3-hexoxy-5-(3-hexoxyphenyl)pyridazine

3-hexoxy-5-(3-hexoxyphenyl)pyridazine (PubChem CID 19103412) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 3-hexoxy-5-(3-hexoxyphenyl)pyridazine.

Molecular Properties

Compound Name3-hexoxy-5-(3-hexoxyphenyl)pyridazine
PubChem CID19103412
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name3-hexoxy-5-(3-hexoxyphenyl)pyridazine
SMILESCCCCCCOc1cccc(-c2cnnc(OCCCCCC)c2)c1
InChIInChI=1S/C22H32N2O2/c1-3-5-7-9-14-25-21-13-11-12-19(16-21)20-17-22(24-23-18-20)26-15-10-8-6-4-2/h11-13,16-18H,3-10,14-15H2,1-2H3
InChIKeyUVGSCYOOUQDEAR-UHFFFAOYSA-N
XLogP6.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.06
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-octoxy-5-(3-pentoxyphenyl)pyridazine
CID 19103382
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-hexoxy-5-(3-hexoxyphenyl)pyridazine?
The IUPAC name of 3-hexoxy-5-(3-hexoxyphenyl)pyridazine (CID 19103412) is 3-hexoxy-5-(3-hexoxyphenyl)pyridazine.
What is the SMILES notation for 3-hexoxy-5-(3-hexoxyphenyl)pyridazine?
The canonical SMILES for 3-hexoxy-5-(3-hexoxyphenyl)pyridazine is CCCCCCOc1cccc(-c2cnnc(OCCCCCC)c2)c1.
What is the InChIKey of 3-hexoxy-5-(3-hexoxyphenyl)pyridazine?
The InChIKey is UVGSCYOOUQDEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c1-3-5-7-9-14-25-21-13-11-12-19(16-21)20-17-22(24-23-18-20)26-15-10-8-6-4-2/h11-13,16-18H,3-10,14-15H2,1-2H3.
What are the key properties of 3-hexoxy-5-(3-hexoxyphenyl)pyridazine?
3-hexoxy-5-(3-hexoxyphenyl)pyridazine has a molecular weight of 356.51 g/mol, XLogP of 6.06, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexoxy-5-(3-hexoxyphenyl)pyridazine is sourced from PubChem (CID 19103412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).