6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

C185H271N63O13S3 — CID 158500890

IUPAC6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1cn2nc(C3CC3)ccc2n1.CC(C)c1cn2nc(N3CCCC3)ccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCN(C)C2.CC(C)c1nnc2n1CCN(S(C)(=O)=O)C2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1CN(C)CC2.CC(C)c1nnc2n1CN(S(C)(=O)=O)CC2.CC(C)c1nnc2n1COCC2.CC(C)c1onc2ccccc12.CC(C)c1snc2ccccc12.COc1ccc2nc(C(C)C)cn2n1.Cc1ccc2nc(C(C)C)cn2n1
InChIInChI=1S/C13H18N4.C12H17N5O.C12H15N3.2C10H16N4O.C10H11N3O2.C10H13N3O.C10H13N3.C10H11NO.C10H11NS.2C9H16N4O2S.2C9H16N4.C9H11N3.C9H15N3.C8H14N4.2C8H13N3O/c1-10(2)11-9-17-12(14-11)5-6-13(15-17)16-7-3-4-8-16;1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;1-8(2)11-7-15-12(13-11)6-5-10(14-15)9-3-4-9;1-7(2)10-12-11-9-6-13(8(3)15)4-5-14(9)10;1-7(2)10-12-11-9-4-5-13(8(3)15)6-14(9)10;1-6(2)9-12-11-8-4-3-7(10(14)15)5-13(8)9;1-7(2)8-6-13-9(11-8)4-5-10(12-13)14-3;1-7(2)9-6-13-10(11-9)5-4-8(3)12-13;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-11-10-8-6-12(16(3,14)15)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15;1-7(2)9-11-10-8-6-12(3)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(3)6-13(8)9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-11-10-7-5-9-3-4-12(7)8;1-6(2)8-10-9-7-5-12-4-3-11(7)8;1-6(2)8-10-9-7-3-4-12-5-11(7)8/h5-6,9-10H,3-4,7-8H2,1-2H3;5-8H,1-4H3,(H,13,18);5-9H,3-4H2,1-2H3;2*7H,4-6H2,1-3H3;3-6H,1-2H3,(H,14,15);4-7H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;3-7H,1-2H3;7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3
InChIKeyHJWLPXWFSKBVTR-UHFFFAOYSA-N
MW3681.83 g/mol
LogP28.61
Rot. Bonds26

About 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid

6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (PubChem CID 158500890) has the molecular formula C185H271N63O13S3 and a molecular weight of 3681.83 g/mol. Its IUPAC name is 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
PubChem CID158500890
Molecular FormulaC185H271N63O13S3
Molecular Weight3681.83 g/mol
Exact Mass3679.16
IUPAC Name6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
SMILESCC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1cn2nc(C3CC3)ccc2n1.CC(C)c1cn2nc(N3CCCC3)ccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCN(C)C2.CC(C)c1nnc2n1CCN(S(C)(=O)=O)C2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1CN(C)CC2.CC(C)c1nnc2n1CN(S(C)(=O)=O)CC2.CC(C)c1nnc2n1COCC2.CC(C)c1onc2ccccc12.CC(C)c1snc2ccccc12.COc1ccc2nc(C(C)C)cn2n1.Cc1ccc2nc(C(C)C)cn2n1
InChIInChI=1S/C13H18N4.C12H17N5O.C12H15N3.2C10H16N4O.C10H11N3O2.C10H13N3O.C10H13N3.C10H11NO.C10H11NS.2C9H16N4O2S.2C9H16N4.C9H11N3.C9H15N3.C8H14N4.2C8H13N3O/c1-10(2)11-9-17-12(14-11)5-6-13(15-17)16-7-3-4-8-16;1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;1-8(2)11-7-15-12(13-11)6-5-10(14-15)9-3-4-9;1-7(2)10-12-11-9-6-13(8(3)15)4-5-14(9)10;1-7(2)10-12-11-9-4-5-13(8(3)15)6-14(9)10;1-6(2)9-12-11-8-4-3-7(10(14)15)5-13(8)9;1-7(2)8-6-13-9(11-8)4-5-10(12-13)14-3;1-7(2)9-6-13-10(11-9)5-4-8(3)12-13;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-11-10-8-6-12(16(3,14)15)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15;1-7(2)9-11-10-8-6-12(3)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(3)6-13(8)9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-11-10-7-5-9-3-4-12(7)8;1-6(2)8-10-9-7-5-12-4-3-11(7)8;1-6(2)8-10-9-7-3-4-12-5-11(7)8/h5-6,9-10H,3-4,7-8H2,1-2H3;5-8H,1-4H3,(H,13,18);5-9H,3-4H2,1-2H3;2*7H,4-6H2,1-3H3;3-6H,1-2H3,(H,14,15);4-7H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;3-7H,1-2H3;7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3
InChIKeyHJWLPXWFSKBVTR-UHFFFAOYSA-N
XLogP28.61
TPSA791.81 Ų
H-Bond Donors3
H-Bond Acceptors70
Rotatable Bonds26
Heavy Atoms264
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003681.83
LogP ≤ 528.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1070

Analyze 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid with MolForge

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What is the IUPAC name of 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The IUPAC name of 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid (CID 158500890) is 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The canonical SMILES for 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is CC(=O)N1CCc2nnc(C(C)C)n2C1.CC(=O)N1CCn2c(nnc2C(C)C)C1.CC(C)c1cn2nc(C3CC3)ccc2n1.CC(C)c1cn2nc(N3CCCC3)ccc2n1.CC(C)c1cn2ncccc2n1.CC(C)c1nnc2cc(NC(=O)N(C)C)ccn12.CC(C)c1nnc2ccc(C(=O)O)cn12.CC(C)c1nnc2n1CCCC2.CC(C)c1nnc2n1CCN(C)C2.CC(C)c1nnc2n1CCN(S(C)(=O)=O)C2.CC(C)c1nnc2n1CCNC2.CC(C)c1nnc2n1CCOC2.CC(C)c1nnc2n1CN(C)CC2.CC(C)c1nnc2n1CN(S(C)(=O)=O)CC2.CC(C)c1nnc2n1COCC2.CC(C)c1onc2ccccc12.CC(C)c1snc2ccccc12.COc1ccc2nc(C(C)C)cn2n1.Cc1ccc2nc(C(C)C)cn2n1.
What is the InChIKey of 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
The InChIKey is HJWLPXWFSKBVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4.C12H17N5O.C12H15N3.2C10H16N4O.C10H11N3O2.C10H13N3O.C10H13N3.C10H11NO.C10H11NS.2C9H16N4O2S.2C9H16N4.C9H11N3.C9H15N3.C8H14N4.2C8H13N3O/c1-10(2)11-9-17-12(14-11)5-6-13(15-17)16-7-3-4-8-16;1-8(2)11-15-14-10-7-9(5-6-17(10)11)13-12(18)16(3)4;1-8(2)11-7-15-12(13-11)6-5-10(14-15)9-3-4-9;1-7(2)10-12-11-9-6-13(8(3)15)4-5-14(9)10;1-7(2)10-12-11-9-4-5-13(8(3)15)6-14(9)10;1-6(2)9-12-11-8-4-3-7(10(14)15)5-13(8)9;1-7(2)8-6-13-9(11-8)4-5-10(12-13)14-3;1-7(2)9-6-13-10(11-9)5-4-8(3)12-13;2*1-7(2)10-8-5-3-4-6-9(8)11-12-10;1-7(2)9-11-10-8-6-12(16(3,14)15)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(6-13(8)9)16(3,14)15;1-7(2)9-11-10-8-6-12(3)4-5-13(8)9;1-7(2)9-11-10-8-4-5-12(3)6-13(8)9;1-7(2)8-6-12-9(11-8)4-3-5-10-12;1-7(2)9-11-10-8-5-3-4-6-12(8)9;1-6(2)8-11-10-7-5-9-3-4-12(7)8;1-6(2)8-10-9-7-5-12-4-3-11(7)8;1-6(2)8-10-9-7-3-4-12-5-11(7)8/h5-6,9-10H,3-4,7-8H2,1-2H3;5-8H,1-4H3,(H,13,18);5-9H,3-4H2,1-2H3;2*7H,4-6H2,1-3H3;3-6H,1-2H3,(H,14,15);4-7H,1-3H3;4-7H,1-3H3;2*3-7H,1-2H3;2*7H,4-6H2,1-3H3;2*7H,4-6H2,1-3H3;3-7H,1-2H3;7H,3-6H2,1-2H3;6,9H,3-5H2,1-2H3;2*6H,3-5H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid?
6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid has a molecular weight of 3681.83 g/mol, XLogP of 28.61, 26 rotatable bonds, 3 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-propan-2-ylimidazo[1,2-b]pyridazine;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;6-methoxy-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;6-methyl-2-propan-2-ylimidazo[1,2-b]pyridazine;7-methylsulfonyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methylsulfonyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;3-propan-2-yl-2,1-benzothiazole;3-propan-2-yl-2,1-benzoxazole;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;2-propan-2-ylimidazo[1,2-b]pyridazine;2-propan-2-yl-6-pyrrolidin-1-ylimidazo[1,2-b]pyridazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 158500890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).