6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine

C24H24N2O2 — CID 90239201

IUPAC6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
SMILESC1=C(c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)CCCC1
InChIInChI=1S/C24H24N2O2/c1-4-10-19(11-5-1)17-27-23-16-22(21-14-8-3-9-15-21)25-26-24(23)28-18-20-12-6-2-7-13-20/h1-2,4-7,10-14,16H,3,8-9,15,17-18H2
InChIKeyDUXGEPLROISNFC-UHFFFAOYSA-N
MW372.47 g/mol
LogP5.59
Rot. Bonds7

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

6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine (PubChem CID 90239201) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
PubChem CID90239201
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC Name6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine
SMILESC1=C(c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)CCCC1
InChIInChI=1S/C24H24N2O2/c1-4-10-19(11-5-1)17-27-23-16-22(21-14-8-3-9-15-21)25-26-24(23)28-18-20-12-6-2-7-13-20/h1-2,4-7,10-14,16H,3,8-9,15,17-18H2
InChIKeyDUXGEPLROISNFC-UHFFFAOYSA-N
XLogP5.59
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.47
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275895
6-(3-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275863
6-(1-phenylethyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71655673
6-[(4-chlorophenyl)methyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270202
6-(2-chloro-6-fluorophenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 71275876
6-(2-phenylethenyl)-3,4-bis(phenylmethoxy)pyridazine
CID 89415006
3,4-bis(phenylmethoxy)-6-prop-1-enylpyridazine
CID 123181647
6-[2-(4-chlorophenyl)ethyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71655736
6-[1-(4-fluorophenyl)ethenyl]-3,4-bis(phenylmethoxy)pyridazine
CID 86677028
2-(cyclopenten-1-yl)-4-phenylmethoxyaniline
CID 146295903
6-[2-(4-fluorophenyl)ethynyl]-3,4-bis(phenylmethoxy)pyridazine
CID 71270241
3,4-bis(phenylmethoxy)-6-(2-propan-2-ylsulfanylethynyl)pyridazine
CID 118518142

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine?
The IUPAC name of 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine (CID 90239201) is 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine.
What is the SMILES notation for 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine?
The canonical SMILES for 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine is C1=C(c2cc(OCc3ccccc3)c(OCc3ccccc3)nn2)CCCC1.
What is the InChIKey of 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine?
The InChIKey is DUXGEPLROISNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-4-10-19(11-5-1)17-27-23-16-22(21-14-8-3-9-15-21)25-26-24(23)28-18-20-12-6-2-7-13-20/h1-2,4-7,10-14,16H,3,8-9,15,17-18H2.
What are the key properties of 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine?
6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine has a molecular weight of 372.47 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-3,4-bis(phenylmethoxy)pyridazine is sourced from PubChem (CID 90239201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).