3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine

C21H20N2O2 — CID 123181647

IUPAC3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
SMILESCC=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C21H20N2O2/c1-2-9-19-14-20(24-15-17-10-5-3-6-11-17)21(23-22-19)25-16-18-12-7-4-8-13-18/h2-14H,15-16H2,1H3
InChIKeyIJBBHKIWLFCWDM-UHFFFAOYSA-N
MW332.40 g/mol
LogP4.67
Rot. Bonds7

About 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine

3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine (PubChem CID 123181647) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine.

Molecular Properties

Compound Name3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
PubChem CID123181647
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
SMILESCC=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1
InChIInChI=1S/C21H20N2O2/c1-2-9-19-14-20(24-15-17-10-5-3-6-11-17)21(23-22-19)25-16-18-12-7-4-8-13-18/h2-14H,15-16H2,1H3
InChIKeyIJBBHKIWLFCWDM-UHFFFAOYSA-N
XLogP4.67
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
6-[2-[3,4-bis(trifluoromethyl)phenyl]ethenyl]-3,4-bis(phenylmethoxy)pyridazine
CID 123573112
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
3,4-bis(phenylmethoxy)-6-(2-propan-2-ylsulfanylethynyl)pyridazine
CID 118518142
6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71655736
6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270202
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
1-ethoxy-2-phenylmethoxy-4-[(E)-prop-1-enyl]benzene
CID 90367929
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
CID 90239201
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
5-methyl-2-(2-phenylethenyl)-4-phenylmethoxypyridine
CID 54482733

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine?
The IUPAC name of 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine (CID 123181647) is 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine.
What is the SMILES notation for 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine?
The canonical SMILES for 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine is CC=Cc1cc(OCc2ccccc2)c(OCc2ccccc2)nn1.
What is the InChIKey of 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine?
The InChIKey is IJBBHKIWLFCWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-2-9-19-14-20(24-15-17-10-5-3-6-11-17)21(23-22-19)25-16-18-12-7-4-8-13-18/h2-14H,15-16H2,1H3.
What are the key properties of 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine?
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine has a molecular weight of 332.40 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine is sourced from PubChem (CID 123181647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).