2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)

C21H41N3 — CID 165080148

IUPAC2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)
SMILESC.CC(C)C.CC(C)C.CC(C)c1cn2nc(C(C)C)ccc2n1
InChIInChI=1S/C12H17N3.2C4H10.CH4/c1-8(2)10-5-6-12-13-11(9(3)4)7-15(12)14-10;2*1-4(2)3;/h5-9H,1-4H3;2*4H,1-3H3;1H4
InChIKeyUZDFFQYABBJJPR-UHFFFAOYSA-N
MW335.58 g/mol
LogP6.94
Rot. Bonds2

About 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)

2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane) (PubChem CID 165080148) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane).

Molecular Properties

Compound Name2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)
PubChem CID165080148
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)
SMILESC.CC(C)C.CC(C)C.CC(C)c1cn2nc(C(C)C)ccc2n1
InChIInChI=1S/C12H17N3.2C4H10.CH4/c1-8(2)10-5-6-12-13-11(9(3)4)7-15(12)14-10;2*1-4(2)3;/h5-9H,1-4H3;2*4H,1-3H3;1H4
InChIKeyUZDFFQYABBJJPR-UHFFFAOYSA-N
XLogP6.94
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)?
The IUPAC name of 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane) (CID 165080148) is 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane).
What is the SMILES notation for 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)?
The canonical SMILES for 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane) is C.CC(C)C.CC(C)C.CC(C)c1cn2nc(C(C)C)ccc2n1.
What is the InChIKey of 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)?
The InChIKey is UZDFFQYABBJJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.2C4H10.CH4/c1-8(2)10-5-6-12-13-11(9(3)4)7-15(12)14-10;2*1-4(2)3;/h5-9H,1-4H3;2*4H,1-3H3;1H4.
What are the key properties of 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane)?
2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane) has a molecular weight of 335.58 g/mol, XLogP of 6.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(propan-2-yl)imidazo[1,2-b]pyridazine;methane;bis(2-methylpropane) is sourced from PubChem (CID 165080148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).