methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate

C11H10ClF3N4O2 — CID 122672828

IUPACmethyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCOC(=O)c1cnc2c(NCCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C11H10ClF3N4O2/c1-21-10(20)7-5-17-9-6(4-8(12)18-19(7)9)16-3-2-11(13,14)15/h4-5,16H,2-3H2,1H3
InChIKeyUURZEJPMIQJCGG-UHFFFAOYSA-N
MW322.67 g/mol
LogP2.53
Rot. Bonds4

About methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate

methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 122672828) has the molecular formula C11H10ClF3N4O2 and a molecular weight of 322.67 g/mol. Its IUPAC name is methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID122672828
Molecular FormulaC11H10ClF3N4O2
Molecular Weight322.67 g/mol
Exact Mass322.04
IUPAC Namemethyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCOC(=O)c1cnc2c(NCCC(F)(F)F)cc(Cl)nn12
InChIInChI=1S/C11H10ClF3N4O2/c1-21-10(20)7-5-17-9-6(4-8(12)18-19(7)9)16-3-2-11(13,14)15/h4-5,16H,2-3H2,1H3
InChIKeyUURZEJPMIQJCGG-UHFFFAOYSA-N
XLogP2.53
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.67
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Imidazo(1,2-b)pyridazine-2-carboxylic acid, 6-chloro-, ethyl ester
CID 2779714
Methyl 6-chloroimidazo(1,2-b)pyridazine-3-carboxylate
CID 92135192
Lithium(1+)6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
CID 155973192
Methyl 6-chloroimidazo(1,2-b)pyridazine-2-carboxylate
CID 37818753
Ethyl 6-chloroimidazo[1,2-b]pyridazine-3-carboxylate
CID 56766637
Ethyl 6-(2-(trifluoromethyl)pyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate
CID 89515515
(S)-ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate
CID 89526627
Methyl 6-chloro-8-(trifluoromethyl)imidazo[1,2-b]pyridazine-2-carboxylate
CID 117978057
6-Chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 122672692
Ethyl 6-(3-fluoropyrrolidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxylate
CID 123616851
6-chloro-N-[(1S,2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 162733055
6-chloro-N-[(2R)-2-fluorocyclopropyl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide
CID 164153047

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate (CID 122672828) is methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate is COC(=O)c1cnc2c(NCCC(F)(F)F)cc(Cl)nn12.
What is the InChIKey of methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is UURZEJPMIQJCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N4O2/c1-21-10(20)7-5-17-9-6(4-8(12)18-19(7)9)16-3-2-11(13,14)15/h4-5,16H,2-3H2,1H3.
What are the key properties of methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate?
methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 322.67 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 122672828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).