4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen

C171H304N47O3S+ — CID 158233696

IUPAC4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen
SMILESCC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1.CC(C)(C)c1c[n+](C2CN3CCC2CC3)[nH]n1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C2CCC2)cn1.CC(C)(C)c1cn(C2CCCCC2(C)C)nn1.CC(C)(C)c1cn(C2CCN(S(C)(=O)=O)CC2)nn1.CC(C)(C)c1cn(C2CCNC2)nn1.CC(C)(C)c1cn([C@H]2CCNC2)cn1.CCN1CC(n2cnc(C(C)(C)C)c2)C1.CCN1CCC(n2cc(C(C)(C)C)nn2)C1.CCN1CCC(n2cc(C(C)(C)C)nn2)CC1(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnnc1C(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C15H28N4.C14H25N3.C13H22N4O.C13H22N4.C12H22N4O2S.C12H22N4.C12H21N3.C11H19N3.C11H18N2.C10H18N4.C9H13N.4C8H14N2.C7H13N3.2H2/c1-7-18-9-8-12(10-15(18,5)6)19-11-13(16-17-19)14(2,3)4;1-13(2,3)11-10-17(16-15-11)12-8-6-7-9-14(12,4)5;1-10(18)16-7-5-11(6-8-16)17-9-12(14-15-17)13(2,3)4;1-13(2,3)12-9-17(15-14-12)11-8-16-6-4-10(11)5-7-16;1-12(2,3)11-9-16(14-13-11)10-5-7-15(8-6-10)19(4,17)18;1-5-15-7-6-10(8-15)16-9-11(13-14-16)12(2,3)4;1-5-14-6-10(7-14)15-8-11(13-9-15)12(2,3)4;1-11(2,3)10-7-14(8-13-10)9-4-5-12-6-9;1-11(2,3)10-7-13(8-12-10)9-5-4-6-9;1-10(2,3)9-7-14(13-12-9)8-4-5-11-6-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-9-8-5-10(6)4;;/h11-12H,7-10H2,1-6H3;10,12H,6-9H2,1-5H3;9,11H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9,12H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;4-7H,1-3H3;4*5-6H,1-4H3;5H,1-4H3;2*1H/p+1/t;;;;;;;9-;;;;;;;;;;/m.......0........../s1
InChIKeyVCONNUMAIRSLRY-ADZDJYNOSA-O
MW3098.71 g/mol
LogP31.40
Rot. Bonds14

About 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen

4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen (PubChem CID 158233696) has the molecular formula C171H304N47O3S+ and a molecular weight of 3098.71 g/mol. Its IUPAC name is 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen.

Molecular Properties

Compound Name4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen
PubChem CID158233696
Molecular FormulaC171H304N47O3S+
Molecular Weight3098.71 g/mol
Exact Mass3096.48
IUPAC Name4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen
SMILESCC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1.CC(C)(C)c1c[n+](C2CN3CCC2CC3)[nH]n1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C2CCC2)cn1.CC(C)(C)c1cn(C2CCCCC2(C)C)nn1.CC(C)(C)c1cn(C2CCN(S(C)(=O)=O)CC2)nn1.CC(C)(C)c1cn(C2CCNC2)nn1.CC(C)(C)c1cn([C@H]2CCNC2)cn1.CCN1CC(n2cnc(C(C)(C)C)c2)C1.CCN1CCC(n2cc(C(C)(C)C)nn2)C1.CCN1CCC(n2cc(C(C)(C)C)nn2)CC1(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnnc1C(C)(C)C.[H][H].[H][H]
InChIInChI=1S/C15H28N4.C14H25N3.C13H22N4O.C13H22N4.C12H22N4O2S.C12H22N4.C12H21N3.C11H19N3.C11H18N2.C10H18N4.C9H13N.4C8H14N2.C7H13N3.2H2/c1-7-18-9-8-12(10-15(18,5)6)19-11-13(16-17-19)14(2,3)4;1-13(2,3)11-10-17(16-15-11)12-8-6-7-9-14(12,4)5;1-10(18)16-7-5-11(6-8-16)17-9-12(14-15-17)13(2,3)4;1-13(2,3)12-9-17(15-14-12)11-8-16-6-4-10(11)5-7-16;1-12(2,3)11-9-16(14-13-11)10-5-7-15(8-6-10)19(4,17)18;1-5-15-7-6-10(8-15)16-9-11(13-14-16)12(2,3)4;1-5-14-6-10(7-14)15-8-11(13-9-15)12(2,3)4;1-11(2,3)10-7-14(8-13-10)9-4-5-12-6-9;1-11(2,3)10-7-13(8-12-10)9-5-4-6-9;1-10(2,3)9-7-14(13-12-9)8-4-5-11-6-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-9-8-5-10(6)4;;/h11-12H,7-10H2,1-6H3;10,12H,6-9H2,1-5H3;9,11H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9,12H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;4-7H,1-3H3;4*5-6H,1-4H3;5H,1-4H3;2*1H/p+1/t;;;;;;;9-;;;;;;;;;;/m.......0........../s1
InChIKeyVCONNUMAIRSLRY-ADZDJYNOSA-O
XLogP31.40
TPSA479.87 Ų
H-Bond Donors3
H-Bond Acceptors46
Rotatable Bonds14
Heavy Atoms222
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003098.71
LogP ≤ 531.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen with MolForge

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Related Compounds

3-[6-(3a,7a-dihydro-1H-indol-6-yl)-2-pyridinyl]imidazo[1,2-a]pyrazine;N-[[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-4,4-difluoro-2,5-dimethylpiperidin-3-yl]methyl]methanesulfonamide;[1-[6-[5-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyrimidin-4-yl]-5-methylpiperidin-3-yl]imino-dimethyl-oxo-lambda6-sulfane;3-(2-phenyl-4-pyridinyl)pyrazolo[1,5-a]pyrimidine;2-(4-pyrazolo[1,5-a]pyrimidin-3-yl-2-pyridinyl)-3,4,7,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 157452934
(Z)-1-[amino(1-azabicyclo[2.2.2]octan-3-yl)amino]-3,3-dimethylbut-1-en-2-amine;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;2-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;4-(4-tert-butyltriazol-1-yl)-1-(2,2,2-trifluoroethyl)piperidine
CID 159313668
N-[[1-[6-(2-acetyl-2,6-diazaspiro[3.3]heptan-6-yl)-4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;bis(N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4,4-difluoro-5-methylpiperidin-3-yl]methyl]methanesulfonamide);9-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-methylsulfonyl-2,9-diazaspiro[4.5]decane
CID 161391575
4-(4-tert-butylimidazol-1-yl)-1-methylpiperidine;1-tert-butyl-3-methylpyrrole-2,5-dione;1-tert-butylpyrazole;4-(4-tert-butylpyrazol-1-yl)-1-methylpiperidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole-2,5-dione;1-tert-butyl-2H-pyrrol-5-one;4-(3-tert-butylpyrrol-1-yl)-1-methylpiperidine;ethane
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3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-N-(2-hydroxyethyl)pyrrolidine-1-carboxamide;4-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]morpholine;6-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane;1-[3-[6-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]pyrimidin-4-yl]pyrrolidin-1-yl]ethanone;6-(difluoromethyl)-3-[6-(1-methylsulfonylpyrrolidin-3-yl)pyrimidin-4-yl]imidazo[1,2-b]pyridazine
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1-Tert-butylazetidine;tert-butylbenzene;tert-butylcyclobutane;tert-butylcyclohexane;tert-butylcyclopentane;1-tert-butyl-1,3-diazinane;1-tert-butylimidazolidine;4-tert-butylmorpholine;3-tert-butyl-1,3-oxazolidine;1-tert-butylpiperazine;1-tert-butylpiperidine;2-tert-butylpyrazine;3-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;1-tert-butylpyrrolidine;2,2-dimethyl-1-piperidin-1-ylpropan-1-one;ethane
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2-(3-Tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyridine;2-(3-tert-butyl-4-ethylpyrrolidin-1-yl)-5-methylpyrimidine;3-tert-butyl-4-methyl-1-methylsulfonylpyrrolidine;(3-tert-butyl-4-methylpyrrolidin-1-yl)-(1-methylcyclopropyl)methanone;2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrazine;bis(3-(3-tert-butyl-4-methylpyrrolidin-1-yl)-6-methylpyridazine);bis(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyridine);tris(2-(3-tert-butyl-4-methylpyrrolidin-1-yl)-5-methylpyrimidine);1-[2-(3-tert-butyl-4-methylpyrrolidin-1-yl)pyrimidin-4-yl]ethenamine
CID 157487570
N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-6-(methylamino)-2-pyridinyl]piperidin-3-yl]methyl]methanesulfonamide;N-[[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-methylpiperidin-3-yl]methyl]methanesulfonamide;N-[2-[1-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperidin-3-yl]propan-2-yl]methanesulfonamide;2-[4-[4-[6-(difluoromethyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]pyrazol-1-yl]ethanol
CID 158054111
N-[[3-[[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]amino]-1-bicyclo[1.1.1]pentanyl]methyl]methanesulfonamide;N-[(3R)-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-yl]acetamide;N-[(3R)-1-[5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]pyrimidin-4-yl]pyrrolidin-3-yl]methanesulfonamide
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2-tert-butylpyrazine;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;2-tert-butyl-1,3,5-triazine;3-tert-butyl-1,2,4-triazine;5-tert-butyltriazine;6-tert-butyl-1,2,4-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-2H-triazole;5-tert-butyl-1H-1,2,4-triazole;ethane;molecular hydrogen;4-propan-2-yltriazine;5-propan-2-yl-1,2,4-triazine
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2-methyl-4-propan-2-ylmorpholine;1-methyl-4-propan-2-ylpiperazine;1-methyl-5-propan-2-ylpyrazole;1-propan-2-ylazetidin-2-one;1-propan-2-ylimidazolidin-2-one;3-propan-2-yl-1H-imidazol-2-one;4-propan-2-ylmorpholine;1-propan-2-ylpiperazine;4-propan-2-ylpiperidine;2-propan-2-ylpyrazine;3-propan-2-ylpyridazine;4-propan-2-ylpyrimidin-2-amine;2-propan-2-ylpyrimidine;tris(4-propan-2-ylpyrimidine);5-propan-2-ylpyrimidine;1-propan-2-ylpyrrolidin-2-one;5-propan-2-yl-2H-tetrazole;4-propan-2-ylthiane 1,1-dioxide
CID 158360776
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;bis(2-tert-butylpyrazine);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;bis(2-tert-butylpyrimidine);1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-2H-tetrazole;3-tert-butyl-1,2,4-triazine;5-tert-butyl-1H-1,2,4-triazole;methane
CID 158505436

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen?
The IUPAC name of 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen (CID 158233696) is 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen.
What is the SMILES notation for 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen?
The canonical SMILES for 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen is CC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1.CC(C)(C)c1c[n+](C2CN3CCC2CC3)[nH]n1.CC(C)(C)c1cccnc1.CC(C)(C)c1cn(C2CCC2)cn1.CC(C)(C)c1cn(C2CCCCC2(C)C)nn1.CC(C)(C)c1cn(C2CCN(S(C)(=O)=O)CC2)nn1.CC(C)(C)c1cn(C2CCNC2)nn1.CC(C)(C)c1cn([C@H]2CCNC2)cn1.CCN1CC(n2cnc(C(C)(C)C)c2)C1.CCN1CCC(n2cc(C(C)(C)C)nn2)C1.CCN1CCC(n2cc(C(C)(C)C)nn2)CC1(C)C.Cn1cc(C(C)(C)C)cn1.Cn1ccc(C(C)(C)C)n1.Cn1ccnc1C(C)(C)C.Cn1cnc(C(C)(C)C)c1.Cn1cnnc1C(C)(C)C.[H][H].[H][H].
What is the InChIKey of 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen?
The InChIKey is VCONNUMAIRSLRY-ADZDJYNOSA-O. The full InChI is InChI=1S/C15H28N4.C14H25N3.C13H22N4O.C13H22N4.C12H22N4O2S.C12H22N4.C12H21N3.C11H19N3.C11H18N2.C10H18N4.C9H13N.4C8H14N2.C7H13N3.2H2/c1-7-18-9-8-12(10-15(18,5)6)19-11-13(16-17-19)14(2,3)4;1-13(2,3)11-10-17(16-15-11)12-8-6-7-9-14(12,4)5;1-10(18)16-7-5-11(6-8-16)17-9-12(14-15-17)13(2,3)4;1-13(2,3)12-9-17(15-14-12)11-8-16-6-4-10(11)5-7-16;1-12(2,3)11-9-16(14-13-11)10-5-7-15(8-6-10)19(4,17)18;1-5-15-7-6-10(8-15)16-9-11(13-14-16)12(2,3)4;1-5-14-6-10(7-14)15-8-11(13-9-15)12(2,3)4;1-11(2,3)10-7-14(8-13-10)9-4-5-12-6-9;1-11(2,3)10-7-13(8-12-10)9-5-4-6-9;1-10(2,3)9-7-14(13-12-9)8-4-5-11-6-8;1-9(2,3)8-5-4-6-10-7-8;1-8(2,3)7-5-10(4)6-9-7;1-8(2,3)7-5-9-10(4)6-7;1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-10(4)9-7;1-7(2,3)6-9-8-5-10(6)4;;/h11-12H,7-10H2,1-6H3;10,12H,6-9H2,1-5H3;9,11H,5-8H2,1-4H3;9-11H,4-8H2,1-3H3;9-10H,5-8H2,1-4H3;9-10H,5-8H2,1-4H3;8-10H,5-7H2,1-4H3;7-9,12H,4-6H2,1-3H3;7-9H,4-6H2,1-3H3;7-8,11H,4-6H2,1-3H3;4-7H,1-3H3;4*5-6H,1-4H3;5H,1-4H3;2*1H/p+1/t;;;;;;;9-;;;;;;;;;;/m.......0........../s1.
What are the key properties of 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen?
4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen has a molecular weight of 3098.71 g/mol, XLogP of 31.40, 14 rotatable bonds, 3 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-cyclobutylimidazole;4-tert-butyl-1-(2,2-dimethylcyclohexyl)triazole;4-tert-butyl-1-(1-ethylazetidin-3-yl)imidazole;4-tert-butyl-1-(1-ethylpyrrolidin-3-yl)triazole;2-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylimidazole;3-tert-butyl-1-methylpyrazole;4-tert-butyl-1-methylpyrazole;3-tert-butyl-4-methyl-1,2,4-triazole;3-tert-butylpyridine;4-tert-butyl-1-[(3S)-pyrrolidin-3-yl]imidazole;4-tert-butyl-1-pyrrolidin-3-yltriazole;3-(4-tert-butyl-2H-triazol-1-ium-1-yl)-1-azabicyclo[2.2.2]octane;4-(4-tert-butyltriazol-1-yl)-1-ethyl-2,2-dimethylpiperidine;4-(4-tert-butyltriazol-1-yl)-1-methylsulfonylpiperidine;1-[4-(4-tert-butyltriazol-1-yl)piperidin-1-yl]ethanone;molecular hydrogen is sourced from PubChem (CID 158233696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).