3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine

C14H16N6O — CID 134806997

IUPAC3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCOc1ncccc1Nc1cnc2ccc(N(C)C)nn12
InChIInChI=1S/C14H16N6O/c1-19(2)12-7-6-11-16-9-13(20(11)18-12)17-10-5-4-8-15-14(10)21-3/h4-9,17H,1-3H3
InChIKeyLFQCATOXRQVRJK-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.94
Rot. Bonds4

About 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine

3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine (PubChem CID 134806997) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
PubChem CID134806997
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine
SMILESCOc1ncccc1Nc1cnc2ccc(N(C)C)nn12
InChIInChI=1S/C14H16N6O/c1-19(2)12-7-6-11-16-9-13(20(11)18-12)17-10-5-4-8-15-14(10)21-3/h4-9,17H,1-3H3
InChIKeyLFQCATOXRQVRJK-UHFFFAOYSA-N
XLogP1.94
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The IUPAC name of 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine (CID 134806997) is 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine.
What is the SMILES notation for 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The canonical SMILES for 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine is COc1ncccc1Nc1cnc2ccc(N(C)C)nn12.
What is the InChIKey of 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
The InChIKey is LFQCATOXRQVRJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-19(2)12-7-6-11-16-9-13(20(11)18-12)17-10-5-4-8-15-14(10)21-3/h4-9,17H,1-3H3.
What are the key properties of 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine?
3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine has a molecular weight of 284.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-methoxy-3-pyridinyl)-6-N,6-N-dimethylimidazo[1,2-b]pyridazine-3,6-diamine is sourced from PubChem (CID 134806997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).