6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine

C13H15N3O — CID 82474066

IUPAC6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(N)nn2)c(C)c1C
InChIInChI=1S/C13H15N3O/c1-8-9(2)12(17-3)6-4-10(8)11-5-7-13(14)16-15-11/h4-7H,1-3H3,(H2,14,16)
InChIKeyKBQCBIQPFWGELK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.35
Rot. Bonds2

About 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine

6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine (PubChem CID 82474066) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine
PubChem CID82474066
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine
SMILESCOc1ccc(-c2ccc(N)nn2)c(C)c1C
InChIInChI=1S/C13H15N3O/c1-8-9(2)12(17-3)6-4-10(8)11-5-7-13(14)16-15-11/h4-7H,1-3H3,(H2,14,16)
InChIKeyKBQCBIQPFWGELK-UHFFFAOYSA-N
XLogP2.35
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine?
The IUPAC name of 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine (CID 82474066) is 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine.
What is the SMILES notation for 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine?
The canonical SMILES for 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine is COc1ccc(-c2ccc(N)nn2)c(C)c1C.
What is the InChIKey of 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine?
The InChIKey is KBQCBIQPFWGELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-8-9(2)12(17-3)6-4-10(8)11-5-7-13(14)16-15-11/h4-7H,1-3H3,(H2,14,16).
What are the key properties of 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine?
6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine has a molecular weight of 229.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2,3-dimethylphenyl)pyridazin-3-amine is sourced from PubChem (CID 82474066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).