carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))

C214H306N60O9Rb26S2 — CID 159558815

IUPACcarbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))
SMILESCC(C)c1nnc2c3ccccc3[n-]c(=O)n12.CC(C)c1nnc2n1-c1ccccc1C(=O)NC2.CC(C)c1nnc2n1C(=O)Cc1ccccc1-2.CC(C)c1nnc2n1C(=O)Cc1ncccc1-2.CC(C)c1nnc2n1CCOCC2.CC(C)c1nnc2n1CCSCC2.CC(C)c1nnc2n1CCc1ccccc1-2.CC(C)c1nnc2n1CCc1cccnc1-2.CC(C)c1nnc2n1CCc1ncccc1-2.CC(C)c1nnc2n1COCC2.CC(C)c1nnc2n1COCCC2.CC(C)c1nnc2n1COc1cnccc1-2.CC(C)c1nnc2n1CSCC2.CC(C)c1nnc2n1Cc1ccccc1O2.CC(C)c1nnc2n1Cc1cccnc1C2.CC(C)c1nnc2n1Cc1ccncc1C2.CC(C)c1nnc2n1Cc1ncccc1C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C13H14N4O.C13H13N3O.C13H15N3.2C12H12N4O.5C12H14N4.C12H13N3O.C11H12N4O.2C9H15N3O.C9H15N3S.C8H13N3O.C8H13N3S.25CH3.26Rb/c1-8(2)12-16-15-11-7-14-13(18)9-5-3-4-6-10(9)17(11)12;1-8(2)12-14-15-13-10-6-4-3-5-9(10)7-11(17)16(12)13;1-9(2)12-14-15-13-11-6-4-3-5-10(11)7-8-16(12)13;1-7(2)11-14-15-12-8-4-3-5-13-9(8)6-10(17)16(11)12;1-7(2)10-14-15-11-8-5-3-4-6-9(8)13-12(17)16(10)11;1-8(2)12-15-14-11-5-10-6-13-4-3-9(10)7-16(11)12;1-8(2)11-14-15-12-9-4-3-6-13-10(9)5-7-16(11)12;1-8(2)11-14-15-12-10-9(4-3-6-13-10)5-7-16(11)12;1-8(2)12-15-14-11-6-10-9(7-16(11)12)4-3-5-13-10;1-8(2)12-15-14-11-6-9-4-3-5-13-10(9)7-16(11)12;1-8(2)11-13-14-12-15(11)7-9-5-3-4-6-10(9)16-12;1-7(2)10-13-14-11-8-3-4-12-5-9(8)16-6-15(10)11;1-7(2)9-11-10-8-3-5-13-6-4-12(8)9;1-7(2)9-11-10-8-4-3-5-13-6-12(8)9;1-7(2)9-11-10-8-3-5-13-6-4-12(8)9;2*1-6(2)8-10-9-7-3-4-12-5-11(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6,8H,7H2,1-2H3,(H,14,18);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,13,15,17);3*3-4,6,8H,5,7H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;25*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;25*-1;26*+1/p-1
InChIKeyGGYVIDMXXHFPJP-UHFFFAOYSA-M
MW6149.52 g/mol
LogP-36.91
Rot. Bonds17

About carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))

carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)) (PubChem CID 159558815) has the molecular formula C214H306N60O9Rb26S2 and a molecular weight of 6149.52 g/mol. Its IUPAC name is carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)).

Molecular Properties

Compound Namecarbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))
PubChem CID159558815
Molecular FormulaC214H306N60O9Rb26S2
Molecular Weight6149.52 g/mol
Exact Mass6132.18
IUPAC Namecarbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))
SMILESCC(C)c1nnc2c3ccccc3[n-]c(=O)n12.CC(C)c1nnc2n1-c1ccccc1C(=O)NC2.CC(C)c1nnc2n1C(=O)Cc1ccccc1-2.CC(C)c1nnc2n1C(=O)Cc1ncccc1-2.CC(C)c1nnc2n1CCOCC2.CC(C)c1nnc2n1CCSCC2.CC(C)c1nnc2n1CCc1ccccc1-2.CC(C)c1nnc2n1CCc1cccnc1-2.CC(C)c1nnc2n1CCc1ncccc1-2.CC(C)c1nnc2n1COCC2.CC(C)c1nnc2n1COCCC2.CC(C)c1nnc2n1COc1cnccc1-2.CC(C)c1nnc2n1CSCC2.CC(C)c1nnc2n1Cc1ccccc1O2.CC(C)c1nnc2n1Cc1cccnc1C2.CC(C)c1nnc2n1Cc1ccncc1C2.CC(C)c1nnc2n1Cc1ncccc1C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+]
InChIInChI=1S/C13H14N4O.C13H13N3O.C13H15N3.2C12H12N4O.5C12H14N4.C12H13N3O.C11H12N4O.2C9H15N3O.C9H15N3S.C8H13N3O.C8H13N3S.25CH3.26Rb/c1-8(2)12-16-15-11-7-14-13(18)9-5-3-4-6-10(9)17(11)12;1-8(2)12-14-15-13-10-6-4-3-5-9(10)7-11(17)16(12)13;1-9(2)12-14-15-13-11-6-4-3-5-10(11)7-8-16(12)13;1-7(2)11-14-15-12-8-4-3-5-13-9(8)6-10(17)16(11)12;1-7(2)10-14-15-11-8-5-3-4-6-9(8)13-12(17)16(10)11;1-8(2)12-15-14-11-5-10-6-13-4-3-9(10)7-16(11)12;1-8(2)11-14-15-12-9-4-3-6-13-10(9)5-7-16(11)12;1-8(2)11-14-15-12-10-9(4-3-6-13-10)5-7-16(11)12;1-8(2)12-15-14-11-6-10-9(7-16(11)12)4-3-5-13-10;1-8(2)12-15-14-11-6-9-4-3-5-13-10(9)7-16(11)12;1-8(2)11-13-14-12-15(11)7-9-5-3-4-6-10(9)16-12;1-7(2)10-13-14-11-8-3-4-12-5-9(8)16-6-15(10)11;1-7(2)9-11-10-8-3-5-13-6-4-12(8)9;1-7(2)9-11-10-8-4-3-5-13-6-12(8)9;1-7(2)9-11-10-8-3-5-13-6-4-12(8)9;2*1-6(2)8-10-9-7-3-4-12-5-11(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6,8H,7H2,1-2H3,(H,14,18);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,13,15,17);3*3-4,6,8H,5,7H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;25*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;25*-1;26*+1/p-1
InChIKeyGGYVIDMXXHFPJP-UHFFFAOYSA-M
XLogP-36.91
TPSA752.34 Ų
H-Bond Donors1
H-Bond Acceptors69
Rotatable Bonds17
Heavy Atoms311
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5006149.52
LogP ≤ 5-36.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1069

Analyze carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)) with MolForge

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What is the IUPAC name of carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))?
The IUPAC name of carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)) (CID 159558815) is carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)).
What is the SMILES notation for carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))?
The canonical SMILES for carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)) is CC(C)c1nnc2c3ccccc3[n-]c(=O)n12.CC(C)c1nnc2n1-c1ccccc1C(=O)NC2.CC(C)c1nnc2n1C(=O)Cc1ccccc1-2.CC(C)c1nnc2n1C(=O)Cc1ncccc1-2.CC(C)c1nnc2n1CCOCC2.CC(C)c1nnc2n1CCSCC2.CC(C)c1nnc2n1CCc1ccccc1-2.CC(C)c1nnc2n1CCc1cccnc1-2.CC(C)c1nnc2n1CCc1ncccc1-2.CC(C)c1nnc2n1COCC2.CC(C)c1nnc2n1COCCC2.CC(C)c1nnc2n1COc1cnccc1-2.CC(C)c1nnc2n1CSCC2.CC(C)c1nnc2n1Cc1ccccc1O2.CC(C)c1nnc2n1Cc1cccnc1C2.CC(C)c1nnc2n1Cc1ccncc1C2.CC(C)c1nnc2n1Cc1ncccc1C2.[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[CH3-].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].[Rb+].
What is the InChIKey of carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))?
The InChIKey is GGYVIDMXXHFPJP-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H14N4O.C13H13N3O.C13H15N3.2C12H12N4O.5C12H14N4.C12H13N3O.C11H12N4O.2C9H15N3O.C9H15N3S.C8H13N3O.C8H13N3S.25CH3.26Rb/c1-8(2)12-16-15-11-7-14-13(18)9-5-3-4-6-10(9)17(11)12;1-8(2)12-14-15-13-10-6-4-3-5-9(10)7-11(17)16(12)13;1-9(2)12-14-15-13-11-6-4-3-5-10(11)7-8-16(12)13;1-7(2)11-14-15-12-8-4-3-5-13-9(8)6-10(17)16(11)12;1-7(2)10-14-15-11-8-5-3-4-6-9(8)13-12(17)16(10)11;1-8(2)12-15-14-11-5-10-6-13-4-3-9(10)7-16(11)12;1-8(2)11-14-15-12-9-4-3-6-13-10(9)5-7-16(11)12;1-8(2)11-14-15-12-10-9(4-3-6-13-10)5-7-16(11)12;1-8(2)12-15-14-11-6-10-9(7-16(11)12)4-3-5-13-10;1-8(2)12-15-14-11-6-9-4-3-5-13-10(9)7-16(11)12;1-8(2)11-13-14-12-15(11)7-9-5-3-4-6-10(9)16-12;1-7(2)10-13-14-11-8-3-4-12-5-9(8)16-6-15(10)11;1-7(2)9-11-10-8-3-5-13-6-4-12(8)9;1-7(2)9-11-10-8-4-3-5-13-6-12(8)9;1-7(2)9-11-10-8-3-5-13-6-4-12(8)9;2*1-6(2)8-10-9-7-3-4-12-5-11(7)8;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h3-6,8H,7H2,1-2H3,(H,14,18);3-6,8H,7H2,1-2H3;3-6,9H,7-8H2,1-2H3;3-5,7H,6H2,1-2H3;3-7H,1-2H3,(H,13,15,17);3*3-4,6,8H,5,7H2,1-2H3;2*3-5,8H,6-7H2,1-2H3;3-6,8H,7H2,1-2H3;3-5,7H,6H2,1-2H3;3*7H,3-6H2,1-2H3;2*6H,3-5H2,1-2H3;25*1H3;;;;;;;;;;;;;;;;;;;;;;;;;;/q;;;;;;;;;;;;;;;;;25*-1;26*+1/p-1.
What are the key properties of carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+))?
carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)) has a molecular weight of 6149.52 g/mol, XLogP of -36.91, 17 rotatable bonds, 1 hydrogen bond donors, and 69 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;1-propan-2-yl-4,5-dihydro-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-6-one;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-b][2,6]naphthyridine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]thiazine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[3,4-f][1,6]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[3,4-g][1,7]naphthyridine;3-propan-2-yl-5,10-dihydro-[1,2,4]triazolo[4,3-g][1,6]naphthyridine;3-propan-2-yl-5,6-dihydro-[1,2,4]triazolo[4,3-h][1,7]naphthyridine;5-propan-2-yl-8-oxa-3,4,6,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaene;3-propan-2-yl-5,7,8,9-tetrahydro-[1,2,4]triazolo[4,3-c][1,3]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]oxazepine;3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-a]isoquinolin-5-one;3-propan-2-yl-5H-[1,2,4]triazolo[3,4-b][1,3]benzoxazine;3-propan-2-yl-[1,2,4]triazolo[4,3-c]quinazolin-6-id-5-one;3-propan-2-yl-6H-[1,2,4]triazolo[3,4-f][1,6]naphthyridin-5-one;(rubidium(1+)) is sourced from PubChem (CID 159558815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).