4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride

C18H22Cl2N4O — CID 19861740

IUPAC4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nn2c(CN3CCOCC3)cnc12.Cl.Cl
InChIInChI=1S/C18H20N4O.2ClH/c1-14-11-17(15-5-3-2-4-6-15)20-22-16(12-19-18(14)22)13-21-7-9-23-10-8-21;;/h2-6,11-12H,7-10,13H2,1H3;2*1H
InChIKeyMSHQLDPNGWYGNM-UHFFFAOYSA-N
MW381.31 g/mol
LogP3.38
Rot. Bonds3

About 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride

4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride (PubChem CID 19861740) has the molecular formula C18H22Cl2N4O and a molecular weight of 381.31 g/mol. Its IUPAC name is 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride.

Molecular Properties

Compound Name4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride
PubChem CID19861740
Molecular FormulaC18H22Cl2N4O
Molecular Weight381.31 g/mol
Exact Mass380.12
IUPAC Name4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride
SMILESCc1cc(-c2ccccc2)nn2c(CN3CCOCC3)cnc12.Cl.Cl
InChIInChI=1S/C18H20N4O.2ClH/c1-14-11-17(15-5-3-2-4-6-15)20-22-16(12-19-18(14)22)13-21-7-9-23-10-8-21;;/h2-6,11-12H,7-10,13H2,1H3;2*1H
InChIKeyMSHQLDPNGWYGNM-UHFFFAOYSA-N
XLogP3.38
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride?
The IUPAC name of 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride (CID 19861740) is 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride.
What is the SMILES notation for 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride?
The canonical SMILES for 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride is Cc1cc(-c2ccccc2)nn2c(CN3CCOCC3)cnc12.Cl.Cl.
What is the InChIKey of 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride?
The InChIKey is MSHQLDPNGWYGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O.2ClH/c1-14-11-17(15-5-3-2-4-6-15)20-22-16(12-19-18(14)22)13-21-7-9-23-10-8-21;;/h2-6,11-12H,7-10,13H2,1H3;2*1H.
What are the key properties of 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride?
4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride has a molecular weight of 381.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(8-methyl-6-phenylimidazo[1,2-b]pyridazin-3-yl)methyl]morpholine;dihydrochloride is sourced from PubChem (CID 19861740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).