3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

C19H21F6N7O — CID 75201471

IUPAC3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)(F)F)nc2c(OCC(F)(F)F)cc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C19H21F6N7O/c1-11-15(19(23,24)25)27-16-13(33-10-18(20,21)22)9-12(28-32(11)16)5-6-14-26-17(29-30(14)2)31-7-3-4-8-31/h9H,3-8,10H2,1-2H3
InChIKeyCJSLYECXUVFCPS-UHFFFAOYSA-N
MW477.41 g/mol
LogP3.51
Rot. Bonds6

About 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine

3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (PubChem CID 75201471) has the molecular formula C19H21F6N7O and a molecular weight of 477.41 g/mol. Its IUPAC name is 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
PubChem CID75201471
Molecular FormulaC19H21F6N7O
Molecular Weight477.41 g/mol
Exact Mass477.17
IUPAC Name3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
SMILESCc1c(C(F)(F)F)nc2c(OCC(F)(F)F)cc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C19H21F6N7O/c1-11-15(19(23,24)25)27-16-13(33-10-18(20,21)22)9-12(28-32(11)16)5-6-14-26-17(29-30(14)2)31-7-3-4-8-31/h9H,3-8,10H2,1-2H3
InChIKeyCJSLYECXUVFCPS-UHFFFAOYSA-N
XLogP3.51
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine (CID 75201471) is 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is Cc1c(C(F)(F)F)nc2c(OCC(F)(F)F)cc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
The InChIKey is CJSLYECXUVFCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F6N7O/c1-11-15(19(23,24)25)27-16-13(33-10-18(20,21)22)9-12(28-32(11)16)5-6-14-26-17(29-30(14)2)31-7-3-4-8-31/h9H,3-8,10H2,1-2H3.
What are the key properties of 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine?
3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine has a molecular weight of 477.41 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 75201471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).