6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine

C26H24N2O2 — CID 71655673

IUPAC6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESCC(c1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C26H24N2O2/c1-20(23-15-9-4-10-16-23)24-17-25(29-18-21-11-5-2-6-12-21)26(28-27-24)30-19-22-13-7-3-8-14-22/h2-17,20H,18-19H2,1H3
InChIKeySHRHJBOQQZDVPM-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.79
Rot. Bonds8

About 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine

6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 71655673) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
PubChem CID71655673
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Name6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
SMILESCC(c1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C26H24N2O2/c1-20(23-15-9-4-10-16-23)24-17-25(29-18-21-11-5-2-6-12-21)26(28-27-24)30-19-22-13-7-3-8-14-22/h2-17,20H,18-19H2,1H3
InChIKeySHRHJBOQQZDVPM-UHFFFAOYSA-N
XLogP5.79
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,4-bis(phenylmethoxy)-6-(2-propan-2-ylsulfanylethynyl)pyridazine
CID 118518142
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647
6-[2-[3-(difluoromethyl)phenyl]ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270039
6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270202
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71655736
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876
6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine
CID 86677028

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine (CID 71655673) is 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine is CC(c1ccccc1)c1cc(OCc2ccccc2)c(OCc2ccccc2)nn1.
What is the InChIKey of 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is SHRHJBOQQZDVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-20(23-15-9-4-10-16-23)24-17-25(29-18-21-11-5-2-6-12-21)26(28-27-24)30-19-22-13-7-3-8-14-22/h2-17,20H,18-19H2,1H3.
What are the key properties of 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine?
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 396.49 g/mol, XLogP of 5.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 71655673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).