6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine

C199H254Cl5F10N43O9 — CID 165025168

IUPAC6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCC(C)c1ncnn2c(Cl)cc(C(F)(F)F)c12.CC(C)c1ncnn2ccc(C(F)(F)F)c12.COc1c(C)c2c(C(C)C)nc(C)nn2c1OC.COc1c(F)ccc2c(C(C)C)cnn12.COc1cc(C)c2c(C(C)C)c(C)cnn12.COc1cc(C)c2c(C(C)C)nc(C)nn12.COc1ccc2c(C(C)C)c(C)nnc2c1.COc1cn2nc(C)nc(C(C)C)c2c1C.COc1cn2nc(C)nc(C(C)C)c2c1C.COc1cn2ncc(C)c(C(C)C)c2c1C.Cc1ccn2ccnc(C(C)C)c12.Cc1cnn2c(Cl)cc(C)c2c1C(C)C.Cc1cnn2cc(Cl)c(C)c2c1C(C)C.Cc1cnn2ccc(C)c2c1C(C)C.Cc1nc(C(C)C)c2c(C(F)(F)F)c(Cl)cn2n1.Cc1nc(C(C)C)c2c(C)cc(Cl)n2n1.Cc1nc(C(C)C)c2c(C)ccn2n1
InChIInChI=1S/C13H19N3O2.2C13H18N2O.C13H16N2O.2C12H15ClN2.3C12H17N3O.C12H16N2.C11H11ClF3N3.C11H14ClN3.C11H13FN2O.C11H15N3.C11H14N2.C10H9ClF3N3.C10H10F3N3/c1-7(2)10-11-8(3)12(17-5)13(18-6)16(11)15-9(4)14-10;1-8(2)12-9(3)6-14-15-7-11(16-5)10(4)13(12)15;1-8(2)12-10(4)7-14-15-11(16-5)6-9(3)13(12)15;1-8(2)13-9(3)14-15-12-7-10(16-4)5-6-11(12)13;1-7(2)11-8(3)5-14-15-6-10(13)9(4)12(11)15;1-7(2)11-9(4)6-14-15-10(13)5-8(3)12(11)15;2*1-7(2)11-12-8(3)10(16-5)6-15(12)14-9(4)13-11;1-7(2)11-12-8(3)6-10(16-5)15(12)14-9(4)13-11;1-8(2)11-10(4)7-13-14-6-5-9(3)12(11)14;1-5(2)9-10-8(11(13,14)15)7(12)4-18(10)17-6(3)16-9;1-6(2)10-11-7(3)5-9(12)15(11)14-8(4)13-10;1-7(2)8-6-13-14-10(8)5-4-9(12)11(14)15-3;1-7(2)10-11-8(3)5-6-14(11)13-9(4)12-10;1-8(2)10-11-9(3)4-6-13(11)7-5-12-10;1-5(2)8-9-6(10(12,13)14)3-7(11)17(9)16-4-15-8;1-6(2)8-9-7(10(11,12)13)3-4-16(9)15-5-14-8/h7H,1-6H3;2*6-8H,1-5H3;5-8H,1-4H3;2*5-7H,1-4H3;3*6-7H,1-5H3;5-8H,1-4H3;4-5H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyLTSRBSVBTPLUNM-UHFFFAOYSA-N
MW3759.76 g/mol
LogP50.88
Rot. Bonds26

About 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine

6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine (PubChem CID 165025168) has the molecular formula C199H254Cl5F10N43O9 and a molecular weight of 3759.76 g/mol. Its IUPAC name is 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine.

Molecular Properties

Compound Name6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine
PubChem CID165025168
Molecular FormulaC199H254Cl5F10N43O9
Molecular Weight3759.76 g/mol
Exact Mass3754.90
IUPAC Name6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine
SMILESCC(C)c1ncnn2c(Cl)cc(C(F)(F)F)c12.CC(C)c1ncnn2ccc(C(F)(F)F)c12.COc1c(C)c2c(C(C)C)nc(C)nn2c1OC.COc1c(F)ccc2c(C(C)C)cnn12.COc1cc(C)c2c(C(C)C)c(C)cnn12.COc1cc(C)c2c(C(C)C)nc(C)nn12.COc1ccc2c(C(C)C)c(C)nnc2c1.COc1cn2nc(C)nc(C(C)C)c2c1C.COc1cn2nc(C)nc(C(C)C)c2c1C.COc1cn2ncc(C)c(C(C)C)c2c1C.Cc1ccn2ccnc(C(C)C)c12.Cc1cnn2c(Cl)cc(C)c2c1C(C)C.Cc1cnn2cc(Cl)c(C)c2c1C(C)C.Cc1cnn2ccc(C)c2c1C(C)C.Cc1nc(C(C)C)c2c(C(F)(F)F)c(Cl)cn2n1.Cc1nc(C(C)C)c2c(C)cc(Cl)n2n1.Cc1nc(C(C)C)c2c(C)ccn2n1
InChIInChI=1S/C13H19N3O2.2C13H18N2O.C13H16N2O.2C12H15ClN2.3C12H17N3O.C12H16N2.C11H11ClF3N3.C11H14ClN3.C11H13FN2O.C11H15N3.C11H14N2.C10H9ClF3N3.C10H10F3N3/c1-7(2)10-11-8(3)12(17-5)13(18-6)16(11)15-9(4)14-10;1-8(2)12-9(3)6-14-15-7-11(16-5)10(4)13(12)15;1-8(2)12-10(4)7-14-15-11(16-5)6-9(3)13(12)15;1-8(2)13-9(3)14-15-12-7-10(16-4)5-6-11(12)13;1-7(2)11-8(3)5-14-15-6-10(13)9(4)12(11)15;1-7(2)11-9(4)6-14-15-10(13)5-8(3)12(11)15;2*1-7(2)11-12-8(3)10(16-5)6-15(12)14-9(4)13-11;1-7(2)11-12-8(3)6-10(16-5)15(12)14-9(4)13-11;1-8(2)11-10(4)7-13-14-6-5-9(3)12(11)14;1-5(2)9-10-8(11(13,14)15)7(12)4-18(10)17-6(3)16-9;1-6(2)10-11-7(3)5-9(12)15(11)14-8(4)13-10;1-7(2)8-6-13-14-10(8)5-4-9(12)11(14)15-3;1-7(2)10-11-8(3)5-6-14(11)13-9(4)12-10;1-8(2)10-11-9(3)4-6-13(11)7-5-12-10;1-5(2)8-9-6(10(12,13)14)3-7(11)17(9)16-4-15-8;1-6(2)8-9-7(10(11,12)13)3-4-16(9)15-5-14-8/h7H,1-6H3;2*6-8H,1-5H3;5-8H,1-4H3;2*5-7H,1-4H3;3*6-7H,1-5H3;5-8H,1-4H3;4-5H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;3-5H,1-2H3;3-6H,1-2H3
InChIKeyLTSRBSVBTPLUNM-UHFFFAOYSA-N
XLogP50.88
TPSA501.66 Ų
H-Bond Donors
H-Bond Acceptors52
Rotatable Bonds26
Heavy Atoms266
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003759.76
LogP ≤ 550.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1052

Analyze 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
The IUPAC name of 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine (CID 165025168) is 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine.
What is the SMILES notation for 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
The canonical SMILES for 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine is CC(C)c1ncnn2c(Cl)cc(C(F)(F)F)c12.CC(C)c1ncnn2ccc(C(F)(F)F)c12.COc1c(C)c2c(C(C)C)nc(C)nn2c1OC.COc1c(F)ccc2c(C(C)C)cnn12.COc1cc(C)c2c(C(C)C)c(C)cnn12.COc1cc(C)c2c(C(C)C)nc(C)nn12.COc1ccc2c(C(C)C)c(C)nnc2c1.COc1cn2nc(C)nc(C(C)C)c2c1C.COc1cn2nc(C)nc(C(C)C)c2c1C.COc1cn2ncc(C)c(C(C)C)c2c1C.Cc1ccn2ccnc(C(C)C)c12.Cc1cnn2c(Cl)cc(C)c2c1C(C)C.Cc1cnn2cc(Cl)c(C)c2c1C(C)C.Cc1cnn2ccc(C)c2c1C(C)C.Cc1nc(C(C)C)c2c(C(F)(F)F)c(Cl)cn2n1.Cc1nc(C(C)C)c2c(C)cc(Cl)n2n1.Cc1nc(C(C)C)c2c(C)ccn2n1.
What is the InChIKey of 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
The InChIKey is LTSRBSVBTPLUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2.2C13H18N2O.C13H16N2O.2C12H15ClN2.3C12H17N3O.C12H16N2.C11H11ClF3N3.C11H14ClN3.C11H13FN2O.C11H15N3.C11H14N2.C10H9ClF3N3.C10H10F3N3/c1-7(2)10-11-8(3)12(17-5)13(18-6)16(11)15-9(4)14-10;1-8(2)12-9(3)6-14-15-7-11(16-5)10(4)13(12)15;1-8(2)12-10(4)7-14-15-11(16-5)6-9(3)13(12)15;1-8(2)13-9(3)14-15-12-7-10(16-4)5-6-11(12)13;1-7(2)11-8(3)5-14-15-6-10(13)9(4)12(11)15;1-7(2)11-9(4)6-14-15-10(13)5-8(3)12(11)15;2*1-7(2)11-12-8(3)10(16-5)6-15(12)14-9(4)13-11;1-7(2)11-12-8(3)6-10(16-5)15(12)14-9(4)13-11;1-8(2)11-10(4)7-13-14-6-5-9(3)12(11)14;1-5(2)9-10-8(11(13,14)15)7(12)4-18(10)17-6(3)16-9;1-6(2)10-11-7(3)5-9(12)15(11)14-8(4)13-10;1-7(2)8-6-13-14-10(8)5-4-9(12)11(14)15-3;1-7(2)10-11-8(3)5-6-14(11)13-9(4)12-10;1-8(2)10-11-9(3)4-6-13(11)7-5-12-10;1-5(2)8-9-6(10(12,13)14)3-7(11)17(9)16-4-15-8;1-6(2)8-9-7(10(11,12)13)3-4-16(9)15-5-14-8/h7H,1-6H3;2*6-8H,1-5H3;5-8H,1-4H3;2*5-7H,1-4H3;3*6-7H,1-5H3;5-8H,1-4H3;4-5H,1-3H3;5-6H,1-4H3;4-7H,1-3H3;5-7H,1-4H3;4-8H,1-3H3;3-5H,1-2H3;3-6H,1-2H3.
What are the key properties of 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine?
6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine has a molecular weight of 3759.76 g/mol, XLogP of 50.88, 26 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-chloro-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-chloro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;7-chloro-4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine;6,7-dimethoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;6-fluoro-7-methoxy-3-propan-2-ylpyrazolo[1,5-a]pyridine;6-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;7-methoxy-3,5-dimethyl-4-propan-2-ylpyrrolo[1,2-b]pyridazine;bis(6-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine);7-methoxy-2,5-dimethyl-4-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine;7-methoxy-3-methyl-4-propan-2-ylcinnoline;8-methyl-1-propan-2-ylpyrrolo[1,2-a]pyrazine;4-propan-2-yl-5-(trifluoromethyl)pyrrolo[2,1-f][1,2,4]triazine is sourced from PubChem (CID 165025168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).