3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole

C188H338N24O — CID 162036496

IUPAC3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
SMILESCC(C)(C)CCc1c[nH]c(C(C)(C)C)c1.CC(C)(C)CCc1cc(C(C)(C)C)c[nH]1.CC(C)(C)CCc1ccc(C(C)(C)C)[nH]1.CC(C)(C)CCc1cnc(C(C)(C)C)[nH]1.CC(C)(C)CCc1nc(C(C)(C)C)n[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)o1.CC(C)(C)CCn1cc(C(C)(C)C)cn1.CC(C)(C)CCn1ccc(C(C)(C)C)c1.CC(C)(C)CCn1ccc(C(C)(C)C)n1.CC(C)(C)CCn1cnc(C(C)(C)C)c1.CC(C)(C)Cc1ccc(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/3C14H24N2.4C14H25N.5C13H24N2.C13H23NO.C12H23N3/c2*1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)9-11-7-8-12(16-15-11)10-14(4,5)6;1-13(2,3)8-10-15-9-7-12(11-15)14(4,5)6;1-13(2,3)8-7-12-9-11(10-15-12)14(4,5)6;1-13(2,3)8-7-11-9-12(15-10-11)14(4,5)6;1-13(2,3)10-9-11-7-8-12(15-11)14(4,5)6;1-12(2,3)8-10-15-9-7-11(14-15)13(4,5)6;1-12(2,3)7-8-15-9-11(14-10-15)13(4,5)6;1-12(2,3)7-8-15-10-11(9-14-15)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-12(2,3)8-7-10-9-14-11(15-10)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-11(2,3)8-7-9-13-10(15-14-9)12(4,5)6/h2*9-10H,7-8H2,1-6H3;7-8H,9-10H2,1-6H3;7,9,11H,8,10H2,1-6H3;2*9-10,15H,7-8H2,1-6H3;7-8,15H,9-10H2,1-6H3;7,9H,8,10H2,1-6H3;2*9-10H,7-8H2,1-6H3;2*9H,7-8H2,1-6H3,(H,14,15);9H,7-8H2,1-6H3;7-8H2,1-6H3,(H,13,14,15)
InChIKeyYWSIAXDIRYMRKZ-UHFFFAOYSA-N
MW2950.94 g/mol
LogP53.31
Rot. Bonds28

About 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole

3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole (PubChem CID 162036496) has the molecular formula C188H338N24O and a molecular weight of 2950.94 g/mol. Its IUPAC name is 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole.

Molecular Properties

Compound Name3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
PubChem CID162036496
Molecular FormulaC188H338N24O
Molecular Weight2950.94 g/mol
Exact Mass2948.71
IUPAC Name3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
SMILESCC(C)(C)CCc1c[nH]c(C(C)(C)C)c1.CC(C)(C)CCc1cc(C(C)(C)C)c[nH]1.CC(C)(C)CCc1ccc(C(C)(C)C)[nH]1.CC(C)(C)CCc1cnc(C(C)(C)C)[nH]1.CC(C)(C)CCc1nc(C(C)(C)C)n[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)o1.CC(C)(C)CCn1cc(C(C)(C)C)cn1.CC(C)(C)CCn1ccc(C(C)(C)C)c1.CC(C)(C)CCn1ccc(C(C)(C)C)n1.CC(C)(C)CCn1cnc(C(C)(C)C)c1.CC(C)(C)Cc1ccc(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/3C14H24N2.4C14H25N.5C13H24N2.C13H23NO.C12H23N3/c2*1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)9-11-7-8-12(16-15-11)10-14(4,5)6;1-13(2,3)8-10-15-9-7-12(11-15)14(4,5)6;1-13(2,3)8-7-12-9-11(10-15-12)14(4,5)6;1-13(2,3)8-7-11-9-12(15-10-11)14(4,5)6;1-13(2,3)10-9-11-7-8-12(15-11)14(4,5)6;1-12(2,3)8-10-15-9-7-11(14-15)13(4,5)6;1-12(2,3)7-8-15-9-11(14-10-15)13(4,5)6;1-12(2,3)7-8-15-10-11(9-14-15)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-12(2,3)8-7-10-9-14-11(15-10)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-11(2,3)8-7-9-13-10(15-14-9)12(4,5)6/h2*9-10H,7-8H2,1-6H3;7-8H,9-10H2,1-6H3;7,9,11H,8,10H2,1-6H3;2*9-10,15H,7-8H2,1-6H3;7-8,15H,9-10H2,1-6H3;7,9H,8,10H2,1-6H3;2*9-10H,7-8H2,1-6H3;2*9H,7-8H2,1-6H3,(H,14,15);9H,7-8H2,1-6H3;7-8H2,1-6H3,(H,13,14,15)
InChIKeyYWSIAXDIRYMRKZ-UHFFFAOYSA-N
XLogP53.31
TPSA308.06 Ų
H-Bond Donors6
H-Bond Acceptors19
Rotatable Bonds28
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002950.94
LogP ≤ 553.31
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1019

Analyze 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole with MolForge

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Launch Full Analysis

Related Compounds

2-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 157205327
2-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-imidazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;4-propan-2-yl-1H-pyrazole;bis(5-propan-2-yl-1H-pyrazole);3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-yl-2H-tetrazole
CID 157740950
2-methylpropane;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 157743137
2-[(2S)-3,3-dimethylbutan-2-yl]pyrimidine;bis(2-(2,2-dimethylpropyl)imidazo[1,2-a]pyridine);2-(2,2-dimethylpropyl)-5-methyl-1,3,4-oxadiazole;2-(2,2-dimethylpropyl)-5-methyl-1,3-oxazole;1-(2,2-dimethylpropyl)-4-methylpyrazole;3-(2,2-dimethylpropyl)-1-methylpyrazole;1-ethyl-3-(2-methylpropyl)pyrazole;methane;1-methyl-2-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)imidazole;1-methyl-4-(2-methylpropyl)pyrazole;4-methyl-1-(2-methylpropyl)pyrazole
CID 158051701
bis(1,4-dimethyl-2-propan-2-ylimidazole);bis(1,5-dimethyl-2-propan-2-ylimidazole);1,3-dimethyl-5-propan-2-ylpyrazole;1,4-dimethyl-3-propan-2-ylpyrazole;1,4-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-3-propan-2-ylpyrazole;1,2-dimethyl-5-propan-2-ylpyrrole;bis(1,3-dimethyl-2-propan-2-ylpyrrole);bis(1,3-dimethyl-4-propan-2-ylpyrrole);bis(1-methyl-2-propan-2-ylimidazole);tetrakis(5-methyl-2-propan-2-yl-1H-imidazole);5-methyl-2-propan-2-yl-1,3-oxazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-1-propan-2-ylpyrazole;4-methyl-5-propan-2-yl-1H-pyrazole;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yl-1H-pyrrole;3-methyl-2-propan-2-yl-1H-pyrrole;2-propan-2-yl-1H-imidazole;1,4,5-trimethyl-2-propan-2-ylimidazole;1,3,4-trimethyl-5-propan-2-ylpyrazole;1,2,4-trimethyl-3-propan-2-ylpyrrole;1,3,5-trimethyl-2-propan-2-ylpyrrole
CID 158079348
2-Tert-butyl-5-fluoropyrimidine;1-tert-butylimidazole;4-tert-butyl-2-methyltriazole;2-tert-butyl-1,3-oxazole;2-tert-butylpyrazine;1-tert-butylpyrazole;3-tert-butylpyridazine;4-tert-butylpyridazine;2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;2-tert-butylpyrimidine;4-tert-butylpyrimidine;5-tert-butylpyrimidine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3,5-triazine;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;1-methylpyrazole
CID 158251384
3-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-one;5-tert-butyl-1,3-oxazol-2-amine;5-(3,3-dimethylbutyl)-3,4-dihydro-2H-pyrrole;2-(3,3-dimethylbutyl)pyrimidine;3-(2,2-dimethylpropyl)-5-methyl-1,3-oxazol-2-one;3-(2,2-dimethylpropyl)-1,3-oxazolidin-2-one;3-(2,2-dimethylpropyl)-1,3-oxazol-2-one;N-(1H-imidazol-2-ylmethyl)-2-methylpropan-2-amine;2-methyl-N-[(3-methyl-1H-pyrrol-2-yl)methyl]propan-2-amine;2-methyl-N-(3H-pyrazol-5-ylmethyl)propan-2-amine;2-methyl-N-(pyridazin-3-ylmethyl)propan-2-amine;2-methyl-N-(2H-pyrrol-4-ylmethyl)propan-2-amine
CID 158546153
2-tert-butylpyrimidine;1,3-dimethyl-4-propan-2-ylpyrazole;1,3-dimethyl-5-propan-2-ylpyrazole;1,5-dimethyl-4-propan-2-ylpyrazole;1-ethyl-4-propan-2-ylpyrazole;methane;1-methyl-2-propan-2-ylimidazole;5-methyl-2-propan-2-yl-1,3-oxazole;5-methyl-4-propan-2-yl-1H-pyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;2-propan-2-yl-1H-imidazole;1-propan-2-ylpyrrolidine
CID 158884399
2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-thiazole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole
CID 158974364
bis(1,2-ditert-butylimidazole);4,5-ditert-butyl-1H-imidazole;4,5-ditert-butyl-1,3-oxazole;2,3-ditert-butylpyrazine;bis(2,3-ditert-butylpyridine);1,5-ditert-butyl-1,2,4-triazole
CID 159069356
2-methylpropane;2-propan-2-yl-4,5-dihydro-1H-imidazole;1-propan-2-ylimidazole;5-propan-2-yl-1,3-oxazole;1-propan-2-ylpyrazole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;1-propan-2-ylpyrrole;1-propan-2-yl-4,5,6,7-tetrahydrobenzimidazole;4-propan-2-yl-1,2,4-triazole;4-propan-2-yl-2H-triazole;pyridine
CID 159238889
2-tert-butyl-1H-imidazole;5-tert-butyl-1H-imidazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;3-tert-butylpyridine;4-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;5-tert-butyl-3H-pyrrole;1-tert-butyl-1,2,4-triazole;bis(4-tert-butyl-2H-triazole);bis(5-tert-butyl-1H-1,2,4-triazole)
CID 159295876

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
The IUPAC name of 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole (CID 162036496) is 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole.
What is the SMILES notation for 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
The canonical SMILES for 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole is CC(C)(C)CCc1c[nH]c(C(C)(C)C)c1.CC(C)(C)CCc1cc(C(C)(C)C)c[nH]1.CC(C)(C)CCc1ccc(C(C)(C)C)[nH]1.CC(C)(C)CCc1cnc(C(C)(C)C)[nH]1.CC(C)(C)CCc1nc(C(C)(C)C)n[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)[nH]1.CC(C)(C)CCc1ncc(C(C)(C)C)o1.CC(C)(C)CCn1cc(C(C)(C)C)cn1.CC(C)(C)CCn1ccc(C(C)(C)C)c1.CC(C)(C)CCn1ccc(C(C)(C)C)n1.CC(C)(C)CCn1cnc(C(C)(C)C)c1.CC(C)(C)Cc1ccc(CC(C)(C)C)nn1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.CC(C)(C)Cc1cnc(CC(C)(C)C)nc1.
What is the InChIKey of 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
The InChIKey is YWSIAXDIRYMRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H24N2.4C14H25N.5C13H24N2.C13H23NO.C12H23N3/c2*1-13(2,3)7-11-9-15-12(16-10-11)8-14(4,5)6;1-13(2,3)9-11-7-8-12(16-15-11)10-14(4,5)6;1-13(2,3)8-10-15-9-7-12(11-15)14(4,5)6;1-13(2,3)8-7-12-9-11(10-15-12)14(4,5)6;1-13(2,3)8-7-11-9-12(15-10-11)14(4,5)6;1-13(2,3)10-9-11-7-8-12(15-11)14(4,5)6;1-12(2,3)8-10-15-9-7-11(14-15)13(4,5)6;1-12(2,3)7-8-15-9-11(14-10-15)13(4,5)6;1-12(2,3)7-8-15-10-11(9-14-15)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-12(2,3)8-7-10-9-14-11(15-10)13(4,5)6;1-12(2,3)8-7-11-14-9-10(15-11)13(4,5)6;1-11(2,3)8-7-9-13-10(15-14-9)12(4,5)6/h2*9-10H,7-8H2,1-6H3;7-8H,9-10H2,1-6H3;7,9,11H,8,10H2,1-6H3;2*9-10,15H,7-8H2,1-6H3;7-8,15H,9-10H2,1-6H3;7,9H,8,10H2,1-6H3;2*9-10H,7-8H2,1-6H3;2*9H,7-8H2,1-6H3,(H,14,15);9H,7-8H2,1-6H3;7-8H2,1-6H3,(H,13,14,15).
What are the key properties of 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole?
3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole has a molecular weight of 2950.94 g/mol, XLogP of 53.31, 28 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(2,2-dimethylpropyl)pyridazine;bis(2,5-bis(2,2-dimethylpropyl)pyrimidine);2-tert-butyl-5-(3,3-dimethylbutyl)-1H-imidazole;4-tert-butyl-1-(3,3-dimethylbutyl)imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1H-imidazole;5-tert-butyl-2-(3,3-dimethylbutyl)-1,3-oxazole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;4-tert-butyl-1-(3,3-dimethylbutyl)pyrazole;2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole;2-tert-butyl-5-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-1-(3,3-dimethylbutyl)pyrrole;4-tert-butyl-2-(3,3-dimethylbutyl)-1H-pyrrole;3-tert-butyl-5-(3,3-dimethylbutyl)-1H-1,2,4-triazole is sourced from PubChem (CID 162036496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).