2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol

C146H198N44O11 — CID 158113916

IUPAC2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESC=C1NC=Nc2c1ncn2C(C)C.CC(C)(C)n1nc2ccccc2n1.CC(C)n1cnc(N(C)C)c2ncnc1-2.CC(C)n1cnc2c(c1=O)N=CC2.CC(C)n1cnc2ncccc21.CC(C)n1ncnc1C(C)(C)O.CC(C)n1nnc2ccccc21.CCOC(=O)c1cc2ccccc2n1C(C)C.CN(C)c1ncnc2c1ncn2C(C)(C)C.COC(=O)c1cc2occc2n1C(C)C.COC(=O)c1cn(C(C)C)c2ccccc12.COC(=O)c1nn(C(C)C)c2ccccc12.Cc1nc2ccccc2n1C(C)C.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C
InChIInChI=1S/C14H17NO2.C13H15NO2.C12H14N2O2.C11H17N5.C11H14N2.C11H13NO3.C10H15N5.C10H13N3.C9H12N4.C9H11N3O.2C9H11N3.C8H15N3O.2C5H10N4/c1-4-17-14(16)13-9-11-7-5-6-8-12(11)15(13)10(2)3;1-9(2)14-8-11(13(15)16-3)10-6-4-5-7-12(10)14;1-8(2)14-10-7-5-4-6-9(10)11(13-14)12(15)16-3;1-11(2,3)16-7-14-8-9(15(4)5)12-6-13-10(8)16;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-7(2)12-8-4-5-15-10(8)6-9(12)11(13)14-3;1-7(2)15-6-13-9(14(3)4)8-10(15)12-5-11-8;1-10(2,3)13-11-8-6-4-5-7-9(8)12-13;1-6(2)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)12-5-11-7-3-4-10-8(7)9(12)13;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)11-7(8(3,4)12)9-5-10-11;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9/h5-10H,4H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;6-7H,1-5H3;4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,3H2,1-2H3,(H,10,11);4-6H,3H2,1-2H3;2*3-7H,1-2H3;5-6,12H,1-4H3;2*4H,1-3H3
InChIKeyFQTPMVRTRZOOJS-UHFFFAOYSA-N
MW2745.49 g/mol
LogP28.61
Rot. Bonds21

About 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol

2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (PubChem CID 158113916) has the molecular formula C146H198N44O11 and a molecular weight of 2745.49 g/mol. Its IUPAC name is 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.

Molecular Properties

Compound Name2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
PubChem CID158113916
Molecular FormulaC146H198N44O11
Molecular Weight2745.49 g/mol
Exact Mass2743.63
IUPAC Name2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
SMILESC=C1NC=Nc2c1ncn2C(C)C.CC(C)(C)n1nc2ccccc2n1.CC(C)n1cnc(N(C)C)c2ncnc1-2.CC(C)n1cnc2c(c1=O)N=CC2.CC(C)n1cnc2ncccc21.CC(C)n1ncnc1C(C)(C)O.CC(C)n1nnc2ccccc21.CCOC(=O)c1cc2ccccc2n1C(C)C.CN(C)c1ncnc2c1ncn2C(C)(C)C.COC(=O)c1cc2occc2n1C(C)C.COC(=O)c1cn(C(C)C)c2ccccc12.COC(=O)c1nn(C(C)C)c2ccccc12.Cc1nc2ccccc2n1C(C)C.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C
InChIInChI=1S/C14H17NO2.C13H15NO2.C12H14N2O2.C11H17N5.C11H14N2.C11H13NO3.C10H15N5.C10H13N3.C9H12N4.C9H11N3O.2C9H11N3.C8H15N3O.2C5H10N4/c1-4-17-14(16)13-9-11-7-5-6-8-12(11)15(13)10(2)3;1-9(2)14-8-11(13(15)16-3)10-6-4-5-7-12(10)14;1-8(2)14-10-7-5-4-6-9(10)11(13-14)12(15)16-3;1-11(2,3)16-7-14-8-9(15(4)5)12-6-13-10(8)16;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-7(2)12-8-4-5-15-10(8)6-9(12)11(13)14-3;1-7(2)15-6-13-9(14(3)4)8-10(15)12-5-11-8;1-10(2,3)13-11-8-6-4-5-7-9(8)12-13;1-6(2)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)12-5-11-7-3-4-10-8(7)9(12)13;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)11-7(8(3,4)12)9-5-10-11;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9/h5-10H,4H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;6-7H,1-5H3;4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,3H2,1-2H3,(H,10,11);4-6H,3H2,1-2H3;2*3-7H,1-2H3;5-6,12H,1-4H3;2*4H,1-3H3
InChIKeyFQTPMVRTRZOOJS-UHFFFAOYSA-N
XLogP28.61
TPSA582.18 Ų
H-Bond Donors2
H-Bond Acceptors55
Rotatable Bonds21
Heavy Atoms201
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002745.49
LogP ≤ 528.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol with MolForge

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Related Compounds

N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;3-[1-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrazol-3-yl]benzoic acid
CID 157087285
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;1-(4-hydroxycyclohexyl)-N-(3-methylbutyl)-2-[[5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]amino]benzimidazole-5-carboxamide;[1-(3-hydroxypropyl)-2-[(3-methylbenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate;methane;3-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 158452801
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;1-(4-hydroxycyclohexyl)-N-(3-methylbutyl)-2-[[5-[2-(trifluoromethoxy)phenyl]-1H-indazol-3-yl]amino]benzimidazole-5-carboxamide;[1-(3-hydroxypropyl)-2-[(3-methylbenzoyl)amino]benzimidazol-5-yl] 2,2-dimethylpropanoate;3-methyl-N-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]benzamide
CID 158521479
acetic acid;6-(azepan-1-yl)-1-methyl-3-[[(2R)-2-methyl-3-pyrrolidin-1-ylpropoxy]methyl]pyrazolo[3,4-b]pyridine;6-(azepan-1-yl)-1-methyl-3-[[(2S)-2-methyl-3-pyrrolidin-1-ylpropoxy]methyl]pyrazolo[3,4-b]pyridine;6-(azepan-1-yl)-1-methyl-3-(4-pyrrolidin-1-ylbutoxymethyl)pyrazolo[3,4-b]pyridine;2-cyclohexyl-1-[6-(1,4-diazepan-1-yl)-1-methylpyrazolo[5,4-b]pyridin-3-yl]ethanone;N-cyclohexyl-5-(diethylamino)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;N-cyclohexyl-5-(furan-3-yl)-1-methylpyrazolo[5,4-b]pyridine-3-carboxamide;2-cyclohexyl-1-[1-methyl-6-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)amino]pyrazolo[5,4-b]pyridin-3-yl]ethanone;dodecakis(2,2,2-trifluoroacetic acid)
CID 159712247
1-(4-benzoylpiperazin-1-yl)-2-[4-methoxy-7-[3-[3-(trifluoromethyl)phenyl]pyrazol-1-yl]-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione;3-[1-[3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrazol-3-yl]benzoic acid;methane
CID 160228322
CID 160969474
CID 160969474
1-[7-[5-[2-[[1-[2-[4-fluoro-7-(triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-oxoacetyl]piperidin-4-yl]-hydroxy-phenylmethyl]-3-methylimidazol-4-yl]-3-methyl-1,2,4-triazol-1-yl]-4-methoxy-1H-pyrrolo[2,3-c]pyridin-3-yl]-2-[4-[hydroxy-(1-methylimidazol-2-yl)-phenylmethyl]piperidin-1-yl]ethane-1,2-dione
CID 163667392
Piperazine, 1-benzoyl-4-[2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]-1,2-dioxoethyl]-& Ac-YTSLIHSLIEESQNQQEKNEQELLELDKWASLWNWF-NH2
CID 16186129
2-[3-[4-methoxy-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]-1H-pyrrolo[2,3-c]pyridin-7-yl]pyrazol-1-yl]acetic acid
CID 59511469
2-(7-(1-(carboxymethyl)-1H-pyrazol-3-yl)-4-methoxy-3-(2-oxo-2-(4-(1-(pyridin-2-yl)-1H-tetrazol-5-yl)piperazin-1-yl)acetyl)-1H-pyrrolo[2,3-c]pyridin-1-yl)acetic acid
CID 59511480
2-[3-[4-Methoxy-1-(2-oxoethyl)-3-[2-oxo-2-[4-(1-pyridin-2-yltetrazol-5-yl)piperazin-1-yl]acetyl]pyrrolo[2,3-c]pyridin-7-yl]pyrazol-1-yl]acetic acid
CID 59740839

Frequently Asked Questions

What is the IUPAC name of 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The IUPAC name of 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol (CID 158113916) is 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol.
What is the SMILES notation for 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The canonical SMILES for 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is C=C1NC=Nc2c1ncn2C(C)C.CC(C)(C)n1nc2ccccc2n1.CC(C)n1cnc(N(C)C)c2ncnc1-2.CC(C)n1cnc2c(c1=O)N=CC2.CC(C)n1cnc2ncccc21.CC(C)n1ncnc1C(C)(C)O.CC(C)n1nnc2ccccc21.CCOC(=O)c1cc2ccccc2n1C(C)C.CN(C)c1ncnc2c1ncn2C(C)(C)C.COC(=O)c1cc2occc2n1C(C)C.COC(=O)c1cn(C(C)C)c2ccccc12.COC(=O)c1nn(C(C)C)c2ccccc12.Cc1nc2ccccc2n1C(C)C.Cc1nnn(C(C)C)n1.Cc1nnnn1C(C)C.
What is the InChIKey of 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
The InChIKey is FQTPMVRTRZOOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2.C13H15NO2.C12H14N2O2.C11H17N5.C11H14N2.C11H13NO3.C10H15N5.C10H13N3.C9H12N4.C9H11N3O.2C9H11N3.C8H15N3O.2C5H10N4/c1-4-17-14(16)13-9-11-7-5-6-8-12(11)15(13)10(2)3;1-9(2)14-8-11(13(15)16-3)10-6-4-5-7-12(10)14;1-8(2)14-10-7-5-4-6-9(10)11(13-14)12(15)16-3;1-11(2,3)16-7-14-8-9(15(4)5)12-6-13-10(8)16;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13;1-7(2)12-8-4-5-15-10(8)6-9(12)11(13)14-3;1-7(2)15-6-13-9(14(3)4)8-10(15)12-5-11-8;1-10(2,3)13-11-8-6-4-5-7-9(8)12-13;1-6(2)13-5-12-8-7(3)10-4-11-9(8)13;1-6(2)12-5-11-7-3-4-10-8(7)9(12)13;1-7(2)12-6-11-9-8(12)4-3-5-10-9;1-7(2)12-9-6-4-3-5-8(9)10-11-12;1-6(2)11-7(8(3,4)12)9-5-10-11;1-4(2)9-5(3)6-7-8-9;1-4(2)9-7-5(3)6-8-9/h5-10H,4H2,1-3H3;4-9H,1-3H3;4-8H,1-3H3;6-7H,1-5H3;4-8H,1-3H3;4-7H,1-3H3;5-7H,1-4H3;4-7H,1-3H3;4-6H,3H2,1-2H3,(H,10,11);4-6H,3H2,1-2H3;2*3-7H,1-2H3;5-6,12H,1-4H3;2*4H,1-3H3.
What are the key properties of 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol?
2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol has a molecular weight of 2745.49 g/mol, XLogP of 28.61, 21 rotatable bonds, 2 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butylbenzotriazole;9-tert-butyl-N,N-dimethylpurin-6-amine;N,N-dimethyl-3-propan-2-ylpurin-6-amine;ethyl 1-propan-2-ylindole-2-carboxylate;6-methylidene-9-propan-2-yl-1H-purine;2-methyl-1-propan-2-ylbenzimidazole;methyl 4-propan-2-ylfuro[3,2-b]pyrrole-5-carboxylate;methyl 1-propan-2-ylindazole-3-carboxylate;methyl 1-propan-2-ylindole-3-carboxylate;5-methyl-1-propan-2-yltetrazole;5-methyl-2-propan-2-yltetrazole;1-propan-2-ylbenzotriazole;1-propan-2-ylimidazo[4,5-b]pyridine;3-propan-2-yl-7H-pyrrolo[3,2-d]pyrimidin-4-one;2-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol is sourced from PubChem (CID 158113916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).