2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine

C13H16N2O2 — CID 126661721

IUPAC2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine
SMILESCOc1ccc(N2CC=C(C)C=N2)cc1OC
InChIInChI=1S/C13H16N2O2/c1-10-6-7-15(14-9-10)11-4-5-12(16-2)13(8-11)17-3/h4-6,8-9H,7H2,1-3H3
InChIKeyMBLAGQFDBRMORV-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.46
Rot. Bonds3

About 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine

2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine (PubChem CID 126661721) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine
PubChem CID126661721
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine
SMILESCOc1ccc(N2CC=C(C)C=N2)cc1OC
InChIInChI=1S/C13H16N2O2/c1-10-6-7-15(14-9-10)11-4-5-12(16-2)13(8-11)17-3/h4-6,8-9H,7H2,1-3H3
InChIKeyMBLAGQFDBRMORV-UHFFFAOYSA-N
XLogP2.46
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine (CID 126661721) is 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine is COc1ccc(N2CC=C(C)C=N2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine?
The InChIKey is MBLAGQFDBRMORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-10-6-7-15(14-9-10)11-4-5-12(16-2)13(8-11)17-3/h4-6,8-9H,7H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine?
2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine has a molecular weight of 232.28 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methyl-3H-pyridazine is sourced from PubChem (CID 126661721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).