2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane

C141H256N28O3S — CID 157175764

IUPAC2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)c1cncc2nccnc12.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1nc2c(o1)CCNC2.CC(C)(C)c1nc2c(o1)CNC2.CC(C)(C)c1nc2c(o1)CNCC2.CC(C)(C)c1nc2c(s1)CNC2.CC(C)(C)c1nccc2nccnc12.CC(C)(C)c1ncnc2cccnc12.CC(C)(C)n1cc2c(n1)CCNC2.CC(C)(C)n1cc2c(n1)CNC2
InChIInChI=1S/3C11H13N3.2C10H17N3.2C10H16N2O.C9H15N3.C9H14N2O.C9H14N2S.C9H19N.C8H17N.12C2H6/c1-11(2,3)8-6-12-7-9-10(8)14-5-4-13-9;1-11(2,3)10-9-8(4-5-14-10)12-6-7-13-9;1-11(2,3)10-9-8(13-7-14-10)5-4-6-12-9;1-10(2,3)13-7-8-6-11-5-4-9(8)12-13;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-9(2,3)12-6-7-4-10-5-8(7)11-12;2*1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;12*1-2/h3*4-7H,1-3H3;7,11H,4-6H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);2*11H,4-6H2,1-3H3;6,10H,4-5H2,1-3H3;2*10H,4-5H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;12*1-2H3
InChIKeyANZFTEXUJIKANL-UHFFFAOYSA-N
MW2423.86 g/mol
LogP34.17
Rot. Bonds

About 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane

2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane (PubChem CID 157175764) has the molecular formula C141H256N28O3S and a molecular weight of 2423.86 g/mol. Its IUPAC name is 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane.

Molecular Properties

Compound Name2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane
PubChem CID157175764
Molecular FormulaC141H256N28O3S
Molecular Weight2423.86 g/mol
Exact Mass2422.05
IUPAC Name2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)c1cncc2nccnc12.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1nc2c(o1)CCNC2.CC(C)(C)c1nc2c(o1)CNC2.CC(C)(C)c1nc2c(o1)CNCC2.CC(C)(C)c1nc2c(s1)CNC2.CC(C)(C)c1nccc2nccnc12.CC(C)(C)c1ncnc2cccnc12.CC(C)(C)n1cc2c(n1)CCNC2.CC(C)(C)n1cc2c(n1)CNC2
InChIInChI=1S/3C11H13N3.2C10H17N3.2C10H16N2O.C9H15N3.C9H14N2O.C9H14N2S.C9H19N.C8H17N.12C2H6/c1-11(2,3)8-6-12-7-9-10(8)14-5-4-13-9;1-11(2,3)10-9-8(4-5-14-10)12-6-7-13-9;1-11(2,3)10-9-8(13-7-14-10)5-4-6-12-9;1-10(2,3)13-7-8-6-11-5-4-9(8)12-13;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-9(2,3)12-6-7-4-10-5-8(7)11-12;2*1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;12*1-2/h3*4-7H,1-3H3;7,11H,4-6H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);2*11H,4-6H2,1-3H3;6,10H,4-5H2,1-3H3;2*10H,4-5H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;12*1-2H3
InChIKeyANZFTEXUJIKANL-UHFFFAOYSA-N
XLogP34.17
TPSA362.00 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms173
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002423.86
LogP ≤ 534.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane with MolForge

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Launch Full Analysis

Related Compounds

2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;3-propan-2-ylpyridazine;bis(4-propan-2-ylpyridazine);2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 157105515
CID 157287947
CID 157287947
1,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;3,5-dimethyl-2-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;1,3-dimethyl-2-propan-2-yl-4,5-dihydroimidazol-1-ium;1-methyl-2-propan-2-yl-4,5-dihydroimidazole;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine;1-methyl-2-propan-2-yl-5,6-dihydro-4H-pyrimidine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[4,5-c]pyridine;5-methyl-2-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine;1-methyl-2-propan-2-ylimidazole;bis(5-methyl-2-propan-2-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine);2-propan-2-yl-4,5-dihydro-1H-imidazole;2-propan-2-yl-4,5-dihydro-1,3-oxazole;bis(2-propan-2-yl-1H-imidazo[4,5-b]pyridine);bis(2-propan-2-yl-3H-imidazo[4,5-c]pyridine);2-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3-oxazole
CID 157636290
bis(2-tert-butyl-4,5-dimethyl-1H-imidazole);4-tert-butyl-2,5-dimethyl-1H-imidazole;bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);4-tert-butyl-2,5-dimethyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
CID 158069797
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158104076
bis(2-tert-butyl-4,5-dimethyl-1,3-oxazole);4-tert-butyl-2,5-dimethyl-1,3-oxazole;bis(2-tert-butyl-4,5-dimethyl-1,3-thiazole);bis(2-tert-butyl-5-methyl-1H-imidazole);5-tert-butyl-2-methyl-1H-imidazole;4-tert-butyl-2-methyl-1,3-thiazole;ethane;methane;1-methyl-4-propan-2-ylbenzene;1-methyl-4-propan-2-ylcyclohexane;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;2-methyl-5-propan-2-ylpyrazine;3-methyl-6-propan-2-ylpyridazine;2-methyl-5-propan-2-ylpyridine;5-methyl-2-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine
CID 158193946
6-propan-2-ylimidazo[1,2-a]pyridine;1-propan-2-ylimidazole;2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;bis(2-propan-2-yl-1,3-oxazole);bis(4-propan-2-yl-1,3-oxazole);bis(5-propan-2-yl-1,3-oxazole);3-propan-2-ylpyridazine;4-propan-2-ylpyridazine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;1-propan-2-yltetrazole;5-propan-2-yl-2H-tetrazole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158500783
2,6-bis[(3,5-dimethylpyrazol-1-yl)methyl]pyridine;2,6-bis[[3,5-di(propan-2-yl)pyrazol-1-yl]methyl]pyridine;2,6-bis(6-methyl-2-pyridinyl)pyridine;2,6-bis(pyrazol-1-ylmethyl)pyridine;2,6-bis(pyridin-2-ylmethyl)pyridine;1-[2-[(dimethylamino)methyl]-1H-imidazol-5-yl]-N,N-dimethylmethanamine;1-[2-[(dimethylamino)methyl]-1-methylimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]-N,N-dimethylmethanamine;1-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]-N,N-dimethylmethanamine;2,6-dipyridin-2-ylpyridine
CID 158648245
ethane;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole
CID 158678530
Ethane;methane;bis(2,4,5-tri(propan-2-yl)-1,3-oxazole);2,3,5-tri(propan-2-yl)pyrazine;bis(1,3,4-tri(propan-2-yl)pyrazole);3,4,6-tri(propan-2-yl)pyridazine;2,3,6-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyridine;2,4,5-tri(propan-2-yl)pyrimidine;bis(2,4,5-tri(propan-2-yl)-1,3-thiazole);2,4,5-tri(propan-2-yl)triazole
CID 158746381
5,6-dihydro-4H-pyrrolo[2,3-d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine;5,6,7,8-tetrahydroimidazo[1,2-c]pyrimidine;5,6,7,8-tetrahydroimidazo[1,5-c]pyrimidine;1,2,3,4-tetrahydroisoquinoline;1,2,3,4-tetrahydro-2,6-naphthyridine;1,2,3,4-tetrahydro-2,7-naphthyridine;5,6,7,8-tetrahydro-1,6-naphthyridine;5,6,7,8-tetrahydro-1,7-naphthyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrrolo[3,2-c]pyridine;1,2,3,4-tetrahydroquinoline;4,5,6,7-tetrahydro-[1,3]thiazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine;4,5,6,7-tetrahydrothieno[2,3-c]pyridine;4,5,6,7-tetrahydrothieno[3,2-c]pyridine
CID 158842272
4,5-di(propan-2-yl)-1H-imidazole;4,5-di(propan-2-yl)-1,3-oxazole;2,3-di(propan-2-yl)pyrazine;4,5-di(propan-2-yl)-1H-pyrazole;3,4-di(propan-2-yl)pyridazine;2,3-di(propan-2-yl)pyridine;4,5-di(propan-2-yl)pyrimidine;2,3-di(propan-2-yl)-1H-pyrrole;4,5-di(propan-2-yl)-1,3-thiazole;ethane
CID 159032432

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane?
The IUPAC name of 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane (CID 157175764) is 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane.
What is the SMILES notation for 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane?
The canonical SMILES for 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)c1cncc2nccnc12.CC(C)(C)c1nc2c([nH]1)CNCC2.CC(C)(C)c1nc2c(o1)CCNC2.CC(C)(C)c1nc2c(o1)CNC2.CC(C)(C)c1nc2c(o1)CNCC2.CC(C)(C)c1nc2c(s1)CNC2.CC(C)(C)c1nccc2nccnc12.CC(C)(C)c1ncnc2cccnc12.CC(C)(C)n1cc2c(n1)CCNC2.CC(C)(C)n1cc2c(n1)CNC2.
What is the InChIKey of 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane?
The InChIKey is ANZFTEXUJIKANL-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H13N3.2C10H17N3.2C10H16N2O.C9H15N3.C9H14N2O.C9H14N2S.C9H19N.C8H17N.12C2H6/c1-11(2,3)8-6-12-7-9-10(8)14-5-4-13-9;1-11(2,3)10-9-8(4-5-14-10)12-6-7-13-9;1-11(2,3)10-9-8(13-7-14-10)5-4-6-12-9;1-10(2,3)13-7-8-6-11-5-4-9(8)12-13;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-10(2,3)9-12-7-6-11-5-4-8(7)13-9;1-10(2,3)9-12-7-4-5-11-6-8(7)13-9;1-9(2,3)12-6-7-4-10-5-8(7)11-12;2*1-9(2,3)8-11-6-4-10-5-7(6)12-8;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)9-6-4-5-7-9;12*1-2/h3*4-7H,1-3H3;7,11H,4-6H2,1-3H3;11H,4-6H2,1-3H3,(H,12,13);2*11H,4-6H2,1-3H3;6,10H,4-5H2,1-3H3;2*10H,4-5H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3;12*1-2H3.
What are the key properties of 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane?
2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane has a molecular weight of 2423.86 g/mol, XLogP of 34.17, 0 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]oxazole;2-tert-butyl-5,6-dihydro-4H-pyrrolo[3,4-d][1,3]thiazole;1-tert-butylpiperidine;5-tert-butylpyrido[3,4-b]pyrazine;8-tert-butylpyrido[3,4-b]pyrazine;4-tert-butylpyrido[3,2-d]pyrimidine;1-tert-butylpyrrolidine;2-tert-butyl-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine;2-tert-butyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine;ethane is sourced from PubChem (CID 157175764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).