7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine

C16H18N4O — CID 142947404

IUPAC7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine
SMILESCOc1ccc(-c2c(C)cc3c(N)cc(C)nn23)c(C)n1
InChIInChI=1S/C16H18N4O/c1-9-7-14-13(17)8-10(2)19-20(14)16(9)12-5-6-15(21-4)18-11(12)3/h5-8H,17H2,1-4H3
InChIKeyVSKWIEYIRDLJDF-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.91
Rot. Bonds2

About 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine

7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine (PubChem CID 142947404) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine.

Molecular Properties

Compound Name7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine
PubChem CID142947404
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine
SMILESCOc1ccc(-c2c(C)cc3c(N)cc(C)nn23)c(C)n1
InChIInChI=1S/C16H18N4O/c1-9-7-14-13(17)8-10(2)19-20(14)16(9)12-5-6-15(21-4)18-11(12)3/h5-8H,17H2,1-4H3
InChIKeyVSKWIEYIRDLJDF-UHFFFAOYSA-N
XLogP2.91
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine?
The IUPAC name of 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine (CID 142947404) is 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine.
What is the SMILES notation for 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine?
The canonical SMILES for 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine is COc1ccc(-c2c(C)cc3c(N)cc(C)nn23)c(C)n1.
What is the InChIKey of 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine?
The InChIKey is VSKWIEYIRDLJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-9-7-14-13(17)8-10(2)19-20(14)16(9)12-5-6-15(21-4)18-11(12)3/h5-8H,17H2,1-4H3.
What are the key properties of 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine?
7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-2-methyl-3-pyridinyl)-2,6-dimethylpyrrolo[1,2-b]pyridazin-4-amine is sourced from PubChem (CID 142947404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).