1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane

C167H321N29O5S2 — CID 157410265

IUPAC1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane
SMILESC.C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)N1CCC[C@@H]1C(C)(C)C.CCCN1CCC[C@@H]1C(C)(C)C.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.CSOO.Cc1ccc(S(=O)(=O)C(C)(C)C)cc1.Cc1nc(C)n(C(C)(C)C)n1.Cc1nccn1C(C)(C)C
InChIInChI=1S/2C11H23N.C11H16O2S.3C10H21N.2C9H19N.3C9H13N.C8H15N3.C8H14N2.C8H17NO.C8H17N.C7H12N2.2C6H11N3.C5H10N4.CH4O2S.2CH4/c1-9(2)12-8-6-7-10(12)11(3,4)5;1-5-8-12-9-6-7-10(12)11(2,3)4;1-9-5-7-10(8-6-9)14(12,13)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6-9-7(2)11(10-6)8(3,4)5;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-4-3-2;;/h9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;5-8H,1-4H3;3*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;3*4-7H,1-3H3;1-5H3;5-6H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2H,1H3;2*1H4/t2*10-;;;;;;;;;;;;;;;;;;;;/m11..................../s1
InChIKeyBOEUBVIEDSYJTB-JHCQELOFSA-N
MW2879.74 g/mol
LogP39.65
Rot. Bonds5

About 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane

1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane (PubChem CID 157410265) has the molecular formula C167H321N29O5S2 and a molecular weight of 2879.74 g/mol. Its IUPAC name is 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane.

Molecular Properties

Compound Name1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane
PubChem CID157410265
Molecular FormulaC167H321N29O5S2
Molecular Weight2879.74 g/mol
Exact Mass2877.52
IUPAC Name1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane
SMILESC.C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)N1CCC[C@@H]1C(C)(C)C.CCCN1CCC[C@@H]1C(C)(C)C.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.CSOO.Cc1ccc(S(=O)(=O)C(C)(C)C)cc1.Cc1nc(C)n(C(C)(C)C)n1.Cc1nccn1C(C)(C)C
InChIInChI=1S/2C11H23N.C11H16O2S.3C10H21N.2C9H19N.3C9H13N.C8H15N3.C8H14N2.C8H17NO.C8H17N.C7H12N2.2C6H11N3.C5H10N4.CH4O2S.2CH4/c1-9(2)12-8-6-7-10(12)11(3,4)5;1-5-8-12-9-6-7-10(12)11(2,3)4;1-9-5-7-10(8-6-9)14(12,13)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6-9-7(2)11(10-6)8(3,4)5;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-4-3-2;;/h9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;5-8H,1-4H3;3*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;3*4-7H,1-3H3;1-5H3;5-6H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2H,1H3;2*1H4/t2*10-;;;;;;;;;;;;;;;;;;;;/m11..................../s1
InChIKeyBOEUBVIEDSYJTB-JHCQELOFSA-N
XLogP39.65
TPSA312.03 Ų
H-Bond Donors1
H-Bond Acceptors35
Rotatable Bonds5
Heavy Atoms203
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002879.74
LogP ≤ 539.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

Analyze 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane with MolForge

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Launch Full Analysis

Related Compounds

1-Tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-1-hydroxy-5-(trifluoromethyl)pyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine;methyl 6-tert-butylpyridine-2-sulfonate
CID 159404731
1-Tert-butyl-2,2-difluoropiperidine;4-tert-butyl-2-ethylsulfonylpyrimidine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;4-tert-butyl-2-methylsulfanylpyrimidine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 160207043
1-Tert-butyl-2,2-difluoropiperidine;2-tert-butyl-6-ethylsulfonylpyridine;2-tert-butyl-5-fluoro-1-hydroxypyridin-1-ium;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylimidazole;4-tert-butyl-1-methylpyrazole;5-tert-butyl-2-methylpyridine;1-tert-butyl-2-methyl-4-pyridin-2-ylpiperazine;2-tert-butyl-6-methylsulfanylpyridine;2-tert-butyl-5-methylsulfonylpyridine;2-tert-butyl-6-methylsulfonylpyridine;4-tert-butylmorpholine;2-(4-tert-butylpiperidin-1-yl)-6-fluoropyridine;2-tert-butyl-5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptane;4-tert-butylpyrimidine;1-tert-butyl-4-(trifluoromethyl)piperidine;2-tert-butyl-5-(trifluoromethyl)pyridine
CID 161083059
5-(3,5-Difluorophenyl)-3-ethylsulfonyl-2-[5-(1,2,2,3,3,3-hexafluoropropyl)-1-methylimidazol-2-yl]pyridine;2-[5-ethylsulfonyl-6-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-2-pyridinyl]pyrimidine;2-[5-ethylsulfonyl-6-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-3-pyridinyl]pyrimidine;3-ethylsulfonyl-2-[1-methyl-5-[1,2,3,3,3-pentafluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-6-(1,2,4-triazol-1-yl)pyridine;2-[5-ethylsulfonyl-6-[1-methyl-5-[3,3,3-trifluoro-2-(trifluoromethyl)propyl]imidazol-2-yl]-3-pyridinyl]pyrimidine
CID 163843998
7-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]imidazo[1,2-a]pyridine;1-methyl-4-[4-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]piperazine;3-methyl-6-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyrazol-1-ylpyridine;4-[3-[5-[3-methylsulfonyl-2-(2H-tetrazol-5-yl)phenyl]-2-pyridinyl]propyl]morpholine
CID 158724577
N-benzyl-N-methyl-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridin-4-amine;1-(1-imidazol-1-ylpiperidin-4-yl)-2-(2H-tetrazol-5-yl)pyrazin-1-ium;4-[4-(3-methylimidazol-4-yl)piperidin-1-yl]-2-methylsulfonyl-3-(2H-tetrazol-5-yl)pyridine;4-[[1-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]piperidin-4-yl]methyl]morpholine;(3S)-1-[1-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]piperidin-4-yl]pyrrolidin-3-ol;3-[1-[2-methylsulfonyl-3-(2H-tetrazol-5-yl)-4-pyridinyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;4-(4-piperidin-1-ylpiperidin-1-yl)-3-(2H-tetrazol-5-yl)pyridine-2-sulfonamide
CID 159680984

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane?
The IUPAC name of 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane (CID 157410265) is 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane.
What is the SMILES notation for 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane?
The canonical SMILES for 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane is C.C.CC(C)(C)N1CCCC1.CC(C)(C)N1CCOCC1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.CC(C)N1CCC[C@@H]1C(C)(C)C.CCCN1CCC[C@@H]1C(C)(C)C.CN1CCC(C(C)(C)C)C1.CN1CCC(C(C)(C)C)CC1.CN1CCCC(C(C)(C)C)C1.CN1CCCC1C(C)(C)C.CN1CCCCC1C(C)(C)C.CSOO.Cc1ccc(S(=O)(=O)C(C)(C)C)cc1.Cc1nc(C)n(C(C)(C)C)n1.Cc1nccn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane?
The InChIKey is BOEUBVIEDSYJTB-JHCQELOFSA-N. The full InChI is InChI=1S/2C11H23N.C11H16O2S.3C10H21N.2C9H19N.3C9H13N.C8H15N3.C8H14N2.C8H17NO.C8H17N.C7H12N2.2C6H11N3.C5H10N4.CH4O2S.2CH4/c1-9(2)12-8-6-7-10(12)11(3,4)5;1-5-8-12-9-6-7-10(12)11(2,3)4;1-9-5-7-10(8-6-9)14(12,13)11(2,3)4;1-10(2,3)9-5-7-11(4)8-6-9;1-10(2,3)9-6-5-7-11(4)8-9;1-10(2,3)9-7-5-6-8-11(9)4;1-9(2,3)8-5-6-10(4)7-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-6-9-7(2)11(10-6)8(3,4)5;1-7-9-5-6-10(7)8(2,3)4;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-4-3-2;;/h9-10H,6-8H2,1-5H3;10H,5-9H2,1-4H3;5-8H,1-4H3;3*9H,5-8H2,1-4H3;2*8H,5-7H2,1-4H3;3*4-7H,1-3H3;1-5H3;5-6H,1-4H3;4-7H2,1-3H3;4-7H2,1-3H3;4-6H,1-3H3;2*4-5H,1-3H3;4H,1-3H3;2H,1H3;2*1H4/t2*10-;;;;;;;;;;;;;;;;;;;;/m11..................../s1.
What are the key properties of 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane?
1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane has a molecular weight of 2879.74 g/mol, XLogP of 39.65, 5 rotatable bonds, 1 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,5-dimethyl-1,2,4-triazole;1-tert-butylimidazole;1-tert-butyl-2-methylimidazole;2-tert-butyl-1-methylpiperidine;3-tert-butyl-1-methylpiperidine;4-tert-butyl-1-methylpiperidine;2-tert-butyl-1-methylpyrrolidine;3-tert-butyl-1-methylpyrrolidine;4-tert-butylmorpholine;(2R)-2-tert-butyl-1-propan-2-ylpyrrolidine;(2R)-2-tert-butyl-1-propylpyrrolidine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrolidine;1-tert-butylsulfonyl-4-methylbenzene;1-tert-butyltetrazole;1-tert-butyltriazole;2-tert-butyltriazole;hydroperoxysulfanylmethane;methane is sourced from PubChem (CID 157410265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).