2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

C38H36F3N11 — CID 118278214

IUPAC2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4ccccc4)nn3C)nn2c1C.Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C19H16F3N5.C19H20N6/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14;1-13-14(2)25-18(20-13)12-10-16(22-25)9-11-17-21-19(23-24(17)3)15-7-5-4-6-8-15/h2-6,8,10-12H,7,9H2,1H3;4-8,10,12H,9,11H2,1-3H3
InChIKeyZBZOLINAXBZEPM-UHFFFAOYSA-N
MW703.78 g/mol
LogP6.86
Rot. Bonds8

About 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 118278214) has the molecular formula C38H36F3N11 and a molecular weight of 703.78 g/mol. Its IUPAC name is 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID118278214
Molecular FormulaC38H36F3N11
Molecular Weight703.78 g/mol
Exact Mass703.31
IUPAC Name2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1nc2ccc(CCc3nc(-c4ccccc4)nn3C)nn2c1C.Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1
InChIInChI=1S/C19H16F3N5.C19H20N6/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14;1-13-14(2)25-18(20-13)12-10-16(22-25)9-11-17-21-19(23-24(17)3)15-7-5-4-6-8-15/h2-6,8,10-12H,7,9H2,1H3;4-8,10,12H,9,11H2,1-3H3
InChIKeyZBZOLINAXBZEPM-UHFFFAOYSA-N
XLogP6.86
TPSA108.91 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500703.78
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 118278214) is 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cc1nc2ccc(CCc3nc(-c4ccccc4)nn3C)nn2c1C.Cn1cc(-c2ccccc2)nc1CCc1ccc2nc(C(F)(F)F)cn2n1.
What is the InChIKey of 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is ZBZOLINAXBZEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5.C19H20N6/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14;1-13-14(2)25-18(20-13)12-10-16(22-25)9-11-17-21-19(23-24(17)3)15-7-5-4-6-8-15/h2-6,8,10-12H,7,9H2,1H3;4-8,10,12H,9,11H2,1-3H3.
What are the key properties of 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 703.78 g/mol, XLogP of 6.86, 8 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[2-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)ethyl]imidazo[1,2-b]pyridazine;6-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 118278214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).