propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole

C208H316N62O4S3 — CID 157220401

IUPACpropan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cc2n(n1)CCOC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc[nH]1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncnn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccnn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1.CC(C)c1nncnn1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1nccn1.CC(C)n1nccn1
InChIInChI=1S/C12H13N.2C11H12N2.C10H16N2.C9H14N2O.C8H11N.5C7H10N2.C7H11N.C7H14.2C6H9N3.3C6H10N2.2C6H9NO.2C6H9NS.C6H12.C5H8N4.3C5H9N3.C5H8N2O.C5H8N2S.2C4H8N4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-7(2)9-5-8-6-12-4-3-11(8)10-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-9-6;1-5(2)6-7-3-4-8-9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6;1-4(2)5-8-6-3-7-9-5;2*1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5;2*1-4(2)5-7-6-3-8-5;2*1-3(2)4-5-7-8-6-4/h3-9H,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;3-7H,1-2H3;5*3-6H,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8)
InChIKeyASXMPZKUKDQAFI-UHFFFAOYSA-N
MW3845.45 g/mol
LogP50.77
Rot. Bonds31

About propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole

propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole (PubChem CID 157220401) has the molecular formula C208H316N62O4S3 and a molecular weight of 3845.45 g/mol. Its IUPAC name is propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Namepropan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole
PubChem CID157220401
Molecular FormulaC208H316N62O4S3
Molecular Weight3845.45 g/mol
Exact Mass3842.56
IUPAC Namepropan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)C1CC1.CC(C)C1CCC1.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cc2n(n1)CCOC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc[nH]1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncnn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccnn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1.CC(C)c1nncnn1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1nccn1.CC(C)n1nccn1
InChIInChI=1S/C12H13N.2C11H12N2.C10H16N2.C9H14N2O.C8H11N.5C7H10N2.C7H11N.C7H14.2C6H9N3.3C6H10N2.2C6H9NO.2C6H9NS.C6H12.C5H8N4.3C5H9N3.C5H8N2O.C5H8N2S.2C4H8N4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-7(2)9-5-8-6-12-4-3-11(8)10-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-9-6;1-5(2)6-7-3-4-8-9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6;1-4(2)5-8-6-3-7-9-5;2*1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5;2*1-4(2)5-7-6-3-8-5;2*1-3(2)4-5-7-8-6-4/h3-9H,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;3-7H,1-2H3;5*3-6H,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8)
InChIKeyASXMPZKUKDQAFI-UHFFFAOYSA-N
XLogP50.77
TPSA825.43 Ų
H-Bond Donors6
H-Bond Acceptors63
Rotatable Bonds31
Heavy Atoms277
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003845.45
LogP ≤ 550.77
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1063

Analyze propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

cumene;methane;2-methyl-5-propan-2-yl-1,3-thiazole;5-methyl-2-propan-2-yl-1,3-thiazole;2-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;bis(2-propan-2-ylpyridine);3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;5-propan-2-yl-2H-pyrrole;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 161987398
benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);phthalazine;pyrazine;bis(pyridine);bis(pyrimidine);bis(1H-pyrrole);quinazoline;quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
CID 157121845
benzene;1H-benzimidazole;1,3-dihydrobenzimidazol-2-one;2,3-dihydro-1-benzofuran;(2,2-dimethylpropane);furan;imidazo[1,2-a]pyridine;bis(imidazo[1,2-b]pyridazine);1H-imidazole;4H-imidazole;1H-indazole;1H-indole;1,3-oxazole;pyrazine;3H-pyrazole;pyrazolo[1,5-a]pyrimidine;pyridine;1H-pyridin-2-one;pyrimidine;1H-pyrrole;2H-pyrrole;1H-pyrrolo[3,2-b]pyridine;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiophene;[1,2,4]triazolo[4,3-a]pyridine
CID 157135557
azetidine;azetidin-2-one;aziridine;1H-azirine;benzene;cyclobutane;cyclohexa-1,4-diene;cyclohexane;cyclopenta-1,3-diene;cyclopentane;cyclopentene;cyclopropane;cyclopropene;1,4-dihydropyrazine;1,4-dihydropyridine;2,3-dihydro-1H-pyrrole;1,4-dioxane;ethane;furan;1H-imidazole;1H-indole;1,3-oxazole;oxirane;oxolane;piperidine;4H-pyran;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;pyrrolidine;quinoline;quinoxaline;1,2,3,4-tetrahydropyridine;1,3-thiazole;thiophene
CID 157138072
bis(1-benzofuran);bis(1-benzothiophene);bis(1,3-dihydroindol-2-one);1H-imidazole;bis(1H-indazole);bis(1H-indole);1-methylpiperidine;icosakis(2-methylpropane);1,3-oxazole;pyridine;1H-pyridin-2-one;1H-pyrrole;quinoline;1,3-thiazole;thiophene
CID 157160092
acridine;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;9H-carbazole;cinnoline;1H-indazole;isoquinoline;1,8-naphthyridine;phenazine;phthalazine;pteridine;7H-purine;quinazoline;quinoline;quinoxaline
CID 157233920
6-fluoro-2-methyl-3-propan-2-ylpyridine;2-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;6-methyl-3-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridine;2-methyl-4-propan-2-ylindazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyridine;4-propan-2-yl-1H-benzimidazole;3-propan-2-yl-1-benzothiophene;8-propan-2-ylindolizine;4-propan-2-yloxane;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;5-propan-2-yl-2-propan-2-yloxypyridine;4-propan-2-ylpyrazolo[1,5-a]pyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157371967
bis(tert-butylbenzene);tert-butylcyclobutane;2-tert-butylcyclopenta-1,3-diene;2-tert-butylfuran;3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;4-tert-butyl-2H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;5-tert-butyl-1H-pyrazole;3-tert-butylpyridazine;tris(2-tert-butylpyridine);bis(3-tert-butylpyridine);4-tert-butylpyridine;2-tert-butylpyrimidine;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;tris(5-tert-butyl-3H-pyrrole);1-tert-butyltetrazole;2-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;1-tert-butyltriazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;5-tert-butyl-3H-1,2,4-triazole
CID 157378969
1-benzofuran;1,3-benzothiazole;1-benzothiophene;ethane;furan;1H-imidazole;1H-indole;1,3,4-oxadiazole;1,3-oxazole;oxepine;pyrazine;pyridine;pyrimidine;1H-pyrrole;bis(3H-pyrrole);quinoxaline;2H-tetrazole;1,3,4-thiadiazole;1,2-thiazole;thiophene;1,2,4-triazine;1,3,5-triazine;1H-1,2,4-triazole
CID 157384996
CID 157390828
CID 157390828
carbanide;ethane;furan;1H-imidazole;isoquinoline;methane;methylcyclohexane;methylcyclopentane;2-methyl-1,3,5-triazine;naphthalene;1,3-oxazole;1H-pyrazole;pyridine;pyrimidine;quinoline;5H-tetrazole;1,3-thiazole;thiophene;toluene;pentakis(yttrium)
CID 157429409
7aH-indole;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2H-benzotriazole;1,3-benzoxazole;bis(cyclopenta-1,3-diene);furan;1H-indazole;1H-indole;isoquinoline;naphthalene;1,8-naphthyridine;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(3H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;1,3-thiazole;thiophene
CID 157452265

Frequently Asked Questions

What is the IUPAC name of propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole (CID 157220401) is propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole is CC(C)C1CC1.CC(C)C1CCC1.CC(C)c1cc2n(n1)CCCC2.CC(C)c1cc2n(n1)CCOC2.CC(C)c1ccc2ccccc2n1.CC(C)c1ccc[nH]1.CC(C)c1ccccn1.CC(C)c1cccnn1.CC(C)c1ccn[nH]1.CC(C)c1ccncn1.CC(C)c1cnc2ccccc2n1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1cncnn1.CC(C)c1cnco1.CC(C)c1cncs1.CC(C)c1ncc2ccccc2n1.CC(C)c1ncc[nH]1.CC(C)c1ncccn1.CC(C)c1nccnn1.CC(C)c1ncco1.CC(C)c1nccs1.CC(C)c1ncn[nH]1.CC(C)c1nn[nH]n1.CC(C)c1nn[nH]n1.CC(C)c1nncnn1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)n1cccn1.CC(C)n1nccn1.CC(C)n1nccn1.
What is the InChIKey of propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is ASXMPZKUKDQAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N.2C11H12N2.C10H16N2.C9H14N2O.C8H11N.5C7H10N2.C7H11N.C7H14.2C6H9N3.3C6H10N2.2C6H9NO.2C6H9NS.C6H12.C5H8N4.3C5H9N3.C5H8N2O.C5H8N2S.2C4H8N4/c1-9(2)11-8-7-10-5-3-4-6-12(10)13-11;1-8(2)11-7-12-9-5-3-4-6-10(9)13-11;1-8(2)11-12-7-9-5-3-4-6-10(9)13-11;1-8(2)10-7-9-5-3-4-6-12(9)11-10;1-7(2)9-5-8-6-12-4-3-11(8)10-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;1-6(2)7-4-3-5-8-7;1-6(2)7-4-3-5-7;1-5(2)6-3-7-4-8-9-6;1-5(2)6-7-3-4-8-9-6;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-7-4-8-6;1-5(2)6-7-3-4-8-6;1-5(2)6-3-4-6;1-4(2)5-8-6-3-7-9-5;2*1-5(2)8-6-3-4-7-8;1-4(2)5-6-3-7-8-5;2*1-4(2)5-7-6-3-8-5;2*1-3(2)4-5-7-8-6-4/h3-9H,1-2H3;2*3-8H,1-2H3;7-8H,3-6H2,1-2H3;5,7H,3-4,6H2,1-2H3;3-7H,1-2H3;5*3-6H,1-2H3;3-6,8H,1-2H3;6-7H,3-5H2,1-2H3;2*3-5H,1-2H3;3-6H,1-2H3;2*3-5H,1-2H3,(H,7,8);4*3-5H,1-2H3;5-6H,3-4H2,1-2H3;3-4H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3;2*3H,1-2H3,(H,5,6,7,8).
What are the key properties of propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole?
propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 3845.45 g/mol, XLogP of 50.77, 31 rotatable bonds, 6 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-ylcyclobutane;propan-2-ylcyclopropane;2-propan-2-yl-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine;2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;2-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;2-propan-2-ylquinazoline;2-propan-2-ylquinoline;2-propan-2-ylquinoxaline;2-propan-2-yl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine;3-propan-2-yl-1,2,4,5-tetrazine;bis(5-propan-2-yl-2H-tetrazole);2-propan-2-yl-1,3,4-thiadiazole;2-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-yl-1,2,4-triazine;6-propan-2-yl-1,2,4-triazine;bis(2-propan-2-yltriazole);5-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 157220401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).