6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine

C20H21N3O3 — CID 654211

IUPAC6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
SMILESCOc1cc(Nc2ccc(-c3ccccc3C)nn2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O3/c1-13-7-5-6-8-15(13)16-9-10-19(23-22-16)21-14-11-17(24-2)20(26-4)18(12-14)25-3/h5-12H,1-4H3,(H,21,23)
InChIKeyJCQKWGXXCYQLOT-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.22
Rot. Bonds6

About 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine

6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine (PubChem CID 654211) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
PubChem CID654211
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine
SMILESCOc1cc(Nc2ccc(-c3ccccc3C)nn2)cc(OC)c1OC
InChIInChI=1S/C20H21N3O3/c1-13-7-5-6-8-15(13)16-9-10-19(23-22-16)21-14-11-17(24-2)20(26-4)18(12-14)25-3/h5-12H,1-4H3,(H,21,23)
InChIKeyJCQKWGXXCYQLOT-UHFFFAOYSA-N
XLogP4.22
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
The IUPAC name of 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine (CID 654211) is 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine is COc1cc(Nc2ccc(-c3ccccc3C)nn2)cc(OC)c1OC.
What is the InChIKey of 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
The InChIKey is JCQKWGXXCYQLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-7-5-6-8-15(13)16-9-10-19(23-22-16)21-14-11-17(24-2)20(26-4)18(12-14)25-3/h5-12H,1-4H3,(H,21,23).
What are the key properties of 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine?
6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine has a molecular weight of 351.41 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenyl)-N-(3,4,5-trimethoxyphenyl)pyridazin-3-amine is sourced from PubChem (CID 654211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).