3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine

C15H15ClN2O3 — CID 14963383

IUPAC3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine
SMILESCOc1cc(/C=C/c2ccc(Cl)nn2)cc(OC)c1OC
InChIInChI=1S/C15H15ClN2O3/c1-19-12-8-10(9-13(20-2)15(12)21-3)4-5-11-6-7-14(16)18-17-11/h4-9H,1-3H3/b5-4+
InChIKeyOJAUUAUXSIWZIX-SNAWJCMRSA-N
MW306.75 g/mol
LogP3.33
Rot. Bonds5

About 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine

3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine (PubChem CID 14963383) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine
PubChem CID14963383
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine
SMILESCOc1cc(/C=C/c2ccc(Cl)nn2)cc(OC)c1OC
InChIInChI=1S/C15H15ClN2O3/c1-19-12-8-10(9-13(20-2)15(12)21-3)4-5-11-6-7-14(16)18-17-11/h4-9H,1-3H3/b5-4+
InChIKeyOJAUUAUXSIWZIX-SNAWJCMRSA-N
XLogP3.33
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine?
The IUPAC name of 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine (CID 14963383) is 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine.
What is the SMILES notation for 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine?
The canonical SMILES for 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine is COc1cc(/C=C/c2ccc(Cl)nn2)cc(OC)c1OC.
What is the InChIKey of 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine?
The InChIKey is OJAUUAUXSIWZIX-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-19-12-8-10(9-13(20-2)15(12)21-3)4-5-11-6-7-14(16)18-17-11/h4-9H,1-3H3/b5-4+.
What are the key properties of 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine?
3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine has a molecular weight of 306.75 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]pyridazine is sourced from PubChem (CID 14963383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).