1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane

C91H184N18O3 — CID 158196696

IUPAC1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/3C11H20N2.2C10H19N3.3C10H18N2O.8CH4/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;;;;;;;;/h3*7-8H,1-6H3;2*7H,1-6H3;3*1-6H3;8*1H4
InChIKeyGAKPJMXHCGSBFX-UHFFFAOYSA-N
MW1578.60 g/mol
LogP26.55
Rot. Bonds

About 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane

1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane (PubChem CID 158196696) has the molecular formula C91H184N18O3 and a molecular weight of 1578.60 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane.

Molecular Properties

Compound Name1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
PubChem CID158196696
Molecular FormulaC91H184N18O3
Molecular Weight1578.60 g/mol
Exact Mass1577.48
IUPAC Name1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane
SMILESC.C.C.C.C.C.C.C.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1
InChIInChI=1S/3C11H20N2.2C10H19N3.3C10H18N2O.8CH4/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;;;;;;;;/h3*7-8H,1-6H3;2*7H,1-6H3;3*1-6H3;8*1H4
InChIKeyGAKPJMXHCGSBFX-UHFFFAOYSA-N
XLogP26.55
TPSA231.64 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001578.60
LogP ≤ 526.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane with MolForge

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Related Compounds

3,5-Dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 157070346
Methane;5-methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole
CID 157241978
2-ethynyl-1-methyl-4-propan-2-ylimidazole;3-ethynyl-1-methyl-4-propan-2-ylpyrazole;3-ethynyl-1-methyl-5-propan-2-ylpyrazole;2-ethynyl-1-propan-2-ylimidazole;3-ethynyl-1-propan-2-ylpyrazole;5-ethynyl-4-propan-2-yl-1H-pyrazole;2-ethynyl-4-propan-2-yl-3H-pyrrole;5-ethynyl-3-propan-2-yl-2H-pyrrole;5-propan-2-yl-1,3,4-oxadiazole-2-carbonitrile
CID 157242521
3,5-Ditert-butyl-1,2,4-oxadiazole;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;2,5-ditert-butyltetrazole;1,4-ditert-butyltriazole
CID 157264768
5-tert-butyl-4-ethyl-1,2-dimethylimidazole;5-tert-butyl-1-ethyl-3-methylpyrazole;4-tert-butyl-5-ethyl-2-methyl-3H-pyrrole;2-tert-butyl-1-methylimidazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-3-methylpyrazol-1-yl)propan-2-one;bis(2-tert-butyl-1-propan-2-ylimidazole)
CID 157384223
5-Methyl-3-propan-2-yl-1,2,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-yltetrazole
CID 157645114
3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;tris(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 157738352
3,5-Dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 157882437
3,5-Ditert-butyl-1,2,4-oxadiazole;bis(1,3-ditert-butylpyrazole);bis(1,4-ditert-butylpyrazole)
CID 158248186
3,5-dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;1,3-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)-3H-pyrazol-1-ium;bis(2,4-di(propan-2-yl)-1,3-thiazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 158321686
3,5-Dimethyl-1,4-di(propan-2-yl)pyrazole;2,5-di(propan-2-yl)-1,3,4-oxadiazole;3,5-di(propan-2-yl)-1,2,4-oxadiazole;bis(1,3-di(propan-2-yl)pyrazole);ethane;1-methyl-2,4-di(propan-2-yl)imidazole;4-methyl-3,5-di(propan-2-yl)-1,2,4-triazole;bis(2-methylpropane);2-methyl-1-propan-2-ylimidazole;1-propan-2-yltriazole
CID 158761444
1,3-dimethyl-5-propan-2-ylpyrazole;1-methyl-5-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;1-methyl-4-propan-2-ylpyrazole;1-methyl-5-propan-2-ylpyrazole;5-propan-2-yl-1H-imidazole;5-propan-2-yl-1H-pyrazole
CID 158768893

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
The IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane (CID 158196696) is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane.
What is the SMILES notation for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
The canonical SMILES for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane is C.C.C.C.C.C.C.C.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1noc(C(C)(C)C)n1.CC(C)(C)c1noc(C(C)(C)C)n1.
What is the InChIKey of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
The InChIKey is GAKPJMXHCGSBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C11H20N2.2C10H19N3.3C10H18N2O.8CH4/c1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;1-9(2,3)7-11-12-8(13-7)10(4,5)6;2*1-9(2,3)7-11-8(13-12-7)10(4,5)6;;;;;;;;/h3*7-8H,1-6H3;2*7H,1-6H3;3*1-6H3;8*1H4.
What are the key properties of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane?
1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane has a molecular weight of 1578.60 g/mol, XLogP of 26.55, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;bis(3,5-ditert-butyl-1,2,4-oxadiazole);1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole;methane is sourced from PubChem (CID 158196696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).