ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine

C18H28N6 — CID 144514706

IUPACethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine
SMILESC=Nc1ccnn1C(=C)C.CC.CC.Cc1ccnn2ccnc12
InChIInChI=1S/C7H7N3.C7H9N3.2C2H6/c1-6-2-3-9-10-5-4-8-7(6)10;1-6(2)10-7(8-3)4-5-9-10;2*1-2/h2-5H,1H3;4-5H,1,3H2,2H3;2*1-2H3
InChIKeyPNLLXVKZISQFOG-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.80
Rot. Bonds2

About ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine

ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine (PubChem CID 144514706) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine.

Molecular Properties

Compound Nameethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine
PubChem CID144514706
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Nameethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine
SMILESC=Nc1ccnn1C(=C)C.CC.CC.Cc1ccnn2ccnc12
InChIInChI=1S/C7H7N3.C7H9N3.2C2H6/c1-6-2-3-9-10-5-4-8-7(6)10;1-6(2)10-7(8-3)4-5-9-10;2*1-2/h2-5H,1H3;4-5H,1,3H2,2H3;2*1-2H3
InChIKeyPNLLXVKZISQFOG-UHFFFAOYSA-N
XLogP4.80
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine?
The IUPAC name of ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine (CID 144514706) is ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine.
What is the SMILES notation for ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine?
The canonical SMILES for ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine is C=Nc1ccnn1C(=C)C.CC.CC.Cc1ccnn2ccnc12.
What is the InChIKey of ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine?
The InChIKey is PNLLXVKZISQFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3.C7H9N3.2C2H6/c1-6-2-3-9-10-5-4-8-7(6)10;1-6(2)10-7(8-3)4-5-9-10;2*1-2/h2-5H,1H3;4-5H,1,3H2,2H3;2*1-2H3.
What are the key properties of ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine?
ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine has a molecular weight of 328.46 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methylimidazo[1,2-b]pyridazine;N-(2-prop-1-en-2-ylpyrazol-3-yl)methanimine is sourced from PubChem (CID 144514706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).