3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

C20H24N6O — CID 166806973

IUPAC3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILES[H]/N=C(\C)c1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1NC
InChIInChI=1S/C20H24N6O/c1-13(21)16-4-3-14(11-17(16)22-2)18-12-23-20-6-5-19(25-26(18)20)24-15-7-9-27-10-8-15/h3-6,11-12,15,21-22H,7-10H2,1-2H3,(H,24,25)/b21-13+
InChIKeyQYXXTSRHQGXEGC-FYJGNVAPSA-N
MW364.45 g/mol
LogP3.42
Rot. Bonds5

About 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 166806973) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID166806973
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILES[H]/N=C(\C)c1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1NC
InChIInChI=1S/C20H24N6O/c1-13(21)16-4-3-14(11-17(16)22-2)18-12-23-20-6-5-19(25-26(18)20)24-15-7-9-27-10-8-15/h3-6,11-12,15,21-22H,7-10H2,1-2H3,(H,24,25)/b21-13+
InChIKeyQYXXTSRHQGXEGC-FYJGNVAPSA-N
XLogP3.42
TPSA87.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923073
1-[3-[6-(oxan-4-ylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]propan-2-one
CID 140905496
5-[6-(cyclopropylamino)imidazo[1,2-b]pyridazin-3-yl]-1,2-benzoxazol-3-amine
CID 134158090
N-(2,2-dimethyloxan-4-yl)-3-(1H-indazol-5-yl)imidazo[1,2-b]pyridazin-6-amine
CID 166793743
3-(4-methoxy-3-pyridinyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66889666
N-(oxan-4-yl)-3-(2-phenoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25104047
N-(oxan-3-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 167228039
3-[6-(cyclohexylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 25102960
3-[3-fluoro-4-(pyridin-2-ylamino)phenyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 66548923
4-[6-(cyclobutylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[2-(dimethylamino)ethyl]-2-fluorobenzamide
CID 24822199
1-[5-[6-[(4-hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]thiophen-2-yl]ethanone
CID 24996722
3-[6-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methylpiperidin-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 53357956

Frequently Asked Questions

What is the IUPAC name of 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 166806973) is 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is [H]/N=C(\C)c1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1NC.
What is the InChIKey of 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is QYXXTSRHQGXEGC-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H24N6O/c1-13(21)16-4-3-14(11-17(16)22-2)18-12-23-20-6-5-19(25-26(18)20)24-15-7-9-27-10-8-15/h3-6,11-12,15,21-22H,7-10H2,1-2H3,(H,24,25)/b21-13+.
What are the key properties of 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 364.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-ethanimidoyl-3-(methylamino)phenyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 166806973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).