cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

C195H354N42OS3 — CID 159139260

IUPACcumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ncnc2ccsc12.CC(C)c1ncnc2sccc12.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2c1CCCC2.CC(C)n1ncc2ccccc21.CC(C)n1nccn1.Cc1snnc1C(C)C
InChIInChI=1S/2C11H15N.C10H12N2.C10H16N2.C10H12N2.2C9H10N2S.C9H12.C8H10N4.C8H11NO.2C7H12N2.C6H10N2S.3C6H10N2.3C5H9N3.C4H8N4.20C2H6.3CH4/c2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-7-3-4-12-9(7)11-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-5(3)9-8-7-6;2*1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;20*1-2;;;/h2*3-6,9H,7-8H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;4H,1-3H3;3*3-6H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;20*1-2H3;3*1H4
InChIKeyKHWVAGBRGKFBEO-UHFFFAOYSA-N
MW3399.47 g/mol
LogP58.48
Rot. Bonds20

About cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole

cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (PubChem CID 159139260) has the molecular formula C195H354N42OS3 and a molecular weight of 3399.47 g/mol. Its IUPAC name is cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Namecumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
PubChem CID159139260
Molecular FormulaC195H354N42OS3
Molecular Weight3399.47 g/mol
Exact Mass3396.81
IUPAC Namecumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole
SMILESC.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ncnc2ccsc12.CC(C)c1ncnc2sccc12.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2c1CCCC2.CC(C)n1ncc2ccccc21.CC(C)n1nccn1.Cc1snnc1C(C)C
InChIInChI=1S/2C11H15N.C10H12N2.C10H16N2.C10H12N2.2C9H10N2S.C9H12.C8H10N4.C8H11NO.2C7H12N2.C6H10N2S.3C6H10N2.3C5H9N3.C4H8N4.20C2H6.3CH4/c2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-7-3-4-12-9(7)11-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-5(3)9-8-7-6;2*1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;20*1-2;;;/h2*3-6,9H,7-8H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;4H,1-3H3;3*3-6H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;20*1-2H3;3*1H4
InChIKeyKHWVAGBRGKFBEO-UHFFFAOYSA-N
XLogP58.48
TPSA427.71 Ų
H-Bond Donors
H-Bond Acceptors46
Rotatable Bonds20
Heavy Atoms241
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003399.47
LogP ≤ 558.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1046

Analyze cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-aminoindazol-1-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-indazol-1-yl-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide;2-(2-methyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-N-(2-piperazin-1-ylphenyl)-1,3-thiazole-4-carboxamide;2-[4-[6-methyl-8-[[3-(piperidin-1-ylmethyl)-1,2-thiazol-5-yl]amino]imidazo[1,2-a]pyrazin-3-yl]pyrazol-1-yl]acetic acid;N-(2-piperazin-1-ylphenyl)-2-[4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 158591199
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;4-(4-methylpiperazin-1-yl)-2-propan-2-yl-1,3-thiazole;5-methyl-1-propan-2-yl-2,3-dihydroindole;2-methyl-5-propan-2-yl-3H-isoindol-1-one;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;2-propan-2-yl-4-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazole;1-(4-propan-2-yl-2-pyridinyl)-2,3-dihydropyrrolo[3,2-c]pyridine;1-propan-2-ylpyrrolo[3,2-c]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 158964881
N-[(1S)-2-(3,5-difluorophenyl)-1-[6-[3-(methanesulfonamido)-1-methylindazol-7-yl]-2-(1-tritylimidazol-4-yl)-[1,3]thiazolo[4,5-b]pyridin-5-yl]ethyl]acetamide
CID 167528467
Pyrrolidin-1-yl-[5-[4-[3-(1,3-thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl]-1-tritylpyrazol-3-yl]thiophen-2-yl]methanone
CID 22031756
3-methyl-N-[5-[7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 137122407
N-[5-[7-[5-methyl-2-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-[4-(5-methylthiophen-2-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]propanamide
CID 137148374
3-methyl-N-[5-[7-[4-[2-[5-(4-methyl-3-pyridinyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]butanamide
CID 137172708
8-(4-Carbazol-9-yl-6-phenyl-1,3,5-triazin-2-yl)-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene;8-[4-(14-methyl-8-thia-10,13,14-triazatetracyclo[7.6.0.02,7.011,15]pentadeca-1(9),2,4,6,11(15),12-hexaen-10-yl)-6-phenyl-1,3,5-triazin-2-yl]-10-thia-3,5,8-triazatetracyclo[7.7.0.02,7.011,16]hexadeca-1(9),2,4,6,11,13,15-heptaene
CID 144848443
N-[5-[7-[4-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]benzamide
CID 145664896
N-[5-[7-[4-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-3-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[5,4-b]pyridin-7-ium-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 145664992
1-[7-[(5-amino-1-pyridin-2-yl-1,2,4-triazol-3-yl)amino]-2,3-dihydroindol-1-yl]ethanone;1-(1,3-benzothiazol-2-yl)-3-N-[4-(diethylamino)phenyl]-1,2,4-triazole-3,5-diamine;3-N-(1H-indazol-5-yl)-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine;3-N-[4-(4-methylpiperazin-1-yl)phenyl]-1-pyridin-2-yl-1,2,4-triazole-3,5-diamine
CID 157128449
Cinnoline;imidazo[1,5-a]pyridine;imidazo[1,2-c]pyrimidine;isoquinoline;1,5-naphthyridine;1,6-naphthyridine;1,7-naphthyridine;1,8-naphthyridine;2,6-naphthyridine;2,7-naphthyridine;phthalazine;pyrazolo[1,5-a]pyridine;pyrido[3,2-d]pyrimidine;pyrido[4,3-d]pyrimidine;pyrrolo[1,2-b]pyridazine;quinazoline;quinoline;quinoxaline;thieno[2,3-d]pyrimidine;thieno[3,2-d]pyrimidine
CID 157142353

Frequently Asked Questions

What is the IUPAC name of cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
The IUPAC name of cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole (CID 159139260) is cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
The canonical SMILES for cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is C.C.C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)N1CCc2ccccc21.CC(C)N1CCc2ccccc21.CC(C)c1ccccc1.CC(C)c1ccn(C)n1.CC(C)c1ccnn1C.CC(C)c1ncnc2ccsc12.CC(C)c1ncnc2sccc12.CC(C)n1ccccc1=O.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1.CC(C)n1ccnn1.CC(C)n1cnc2ccccc21.CC(C)n1cnc2cncnc21.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1ncc2c1CCCC2.CC(C)n1ncc2ccccc21.CC(C)n1nccn1.Cc1snnc1C(C)C.
What is the InChIKey of cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
The InChIKey is KHWVAGBRGKFBEO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H15N.C10H12N2.C10H16N2.C10H12N2.2C9H10N2S.C9H12.C8H10N4.C8H11NO.2C7H12N2.C6H10N2S.3C6H10N2.3C5H9N3.C4H8N4.20C2H6.3CH4/c2*1-9(2)12-8-7-10-5-3-4-6-11(10)12;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-8(2)12-10-6-4-3-5-9(10)7-11-12;1-6(2)8-9-7(3-4-12-9)10-5-11-8;1-6(2)8-7-3-4-12-9(7)11-5-10-8;1-8(2)9-6-4-3-5-7-9;1-6(2)12-5-11-7-3-9-4-10-8(7)12;1-7(2)9-6-4-3-5-8(9)10;1-6(2)7-4-5-9(3)8-7;1-6(2)7-4-5-8-9(7)3;1-4(2)6-5(3)9-8-7-6;2*1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-5(2)8-6-3-4-7-8;1-4(2)8-3-5-6-7-8;20*1-2;;;/h2*3-6,9H,7-8H2,1-2H3;3-8H,1-2H3;7-8H,3-6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;3-8H,1-2H3;3-6H,1-2H3;3-7H,1-2H3;2*4-6H,1-3H3;4H,1-3H3;3*3-6H,1-2H3;3*3-5H,1-2H3;3-4H,1-2H3;20*1-2H3;3*1H4.
What are the key properties of cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole?
cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole has a molecular weight of 3399.47 g/mol, XLogP of 58.48, 20 rotatable bonds, 0 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;ethane;methane;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-methyl-4-propan-2-ylthiadiazole;1-propan-2-ylbenzimidazole;bis(1-propan-2-yl-2,3-dihydroindole);bis(1-propan-2-ylimidazole);1-propan-2-ylindazole;9-propan-2-ylpurine;1-propan-2-ylpyrazole;1-propan-2-ylpyridin-2-one;1-propan-2-yl-4,5,6,7-tetrahydroindazole;1-propan-2-yltetrazole;4-propan-2-ylthieno[2,3-d]pyrimidine;4-propan-2-ylthieno[3,2-d]pyrimidine;1-propan-2-yltriazole;2-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 159139260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).