3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane

C179H326N24O4S4 — CID 158302066

About 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane

3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane (PubChem CID 158302066) has the molecular formula C179H326N24O4S4 and a molecular weight of 3007.01 g/mol. Its IUPAC name is 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane.

Molecular Properties

• Compound Name: 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane
• PubChem CID: 158302066
• Molecular Formula: C179H326N24O4S4
• Molecular Weight: 3007.01 g/mol
• Exact Mass: 3004.49
• IUPAC Name: 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane
• SMILES: C.C.C=C1N(C)N=C(C(C)(C)C)N1C.CC(C)(C)c1nnc(C(C)(C)C)o1.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C.Cc1c(C(C)(C)C)nn(C)c1C(C)(C)C.Cc1c(C(C)(C)C)oc(C(C)(C)C)c1C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)o1.Cc1nc(C(C)(C)C)c(C(C)(C)C)s1.Cc1nc(C(C)(C)C)c(C)n1C(C)C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nn(C)nc1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C
• InChI: InChI=1S/C14H24O.C14H24S.3C13H24N2.C12H22N2.2C12H21NO.3C12H21NS.C11H21N3.C10H18N2O.C9H17N3.C8H15N3.2CH4/c2*1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;1-9-14-10(12(2,3)4)11(15(9)8)13(5,6)7;1-9-10(12(2,3)4)14-15(8)11(9)13(5,6)7;1-9-10(2)15(13(6,7)8)14-11(9)12(3,4)5;1-8(2)14-9(3)11(12(5,6)7)13-10(14)4;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-12-13-9(10(2,3)4)14(8)11(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-7-11(5)8(9(2,3)4)10-12(7)6;1-6-7(8(2,3)4)10-11(5)9-6;;/h5*1-8H3;8H,1-7H3;6*1-7H3;1-6H3;1H2,2-6H3;1-5H3;2*1H4
• InChIKey: GMPOQXXEAGPZQW-UHFFFAOYSA-N
• XLogP: 52.02
• TPSA: 294.33 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 1
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3007.01
LogP ≤ 5	52.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane?

The IUPAC name of 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane (CID 158302066) is 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane.

What is the SMILES notation for 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane?

The canonical SMILES for 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane is C.C.C=C1N(C)N=C(C(C)(C)C)N1C.CC(C)(C)c1nnc(C(C)(C)C)o1.Cc1c(C(C)(C)C)nn(C(C)(C)C)c1C.Cc1c(C(C)(C)C)nn(C)c1C(C)(C)C.Cc1c(C(C)(C)C)oc(C(C)(C)C)c1C.Cc1c(C(C)(C)C)sc(C(C)(C)C)c1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)n1C.Cc1nc(C(C)(C)C)c(C(C)(C)C)o1.Cc1nc(C(C)(C)C)c(C(C)(C)C)s1.Cc1nc(C(C)(C)C)c(C)n1C(C)C.Cc1nc(C(C)(C)C)oc1C(C)(C)C.Cc1nn(C)nc1C(C)(C)C.Cc1nnc(C(C)(C)C)n1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.Cc1sc(C(C)(C)C)nc1C(C)(C)C.

What is the InChIKey of 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane?

The InChIKey is GMPOQXXEAGPZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O.C14H24S.3C13H24N2.C12H22N2.2C12H21NO.3C12H21NS.C11H21N3.C10H18N2O.C9H17N3.C8H15N3.2CH4/c2*1-9-10(2)12(14(6,7)8)15-11(9)13(3,4)5;1-9-14-10(12(2,3)4)11(15(9)8)13(5,6)7;1-9-10(12(2,3)4)14-15(8)11(9)13(5,6)7;1-9-10(2)15(13(6,7)8)14-11(9)12(3,4)5;1-8(2)14-9(3)11(12(5,6)7)13-10(14)4;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;1-8-9(11(2,3)4)14-10(13-8)12(5,6)7;1-8-13-9(11(2,3)4)10(14-8)12(5,6)7;2*1-8-9(11(2,3)4)13-10(14-8)12(5,6)7;1-8-12-13-9(10(2,3)4)14(8)11(5,6)7;1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-7-11(5)8(9(2,3)4)10-12(7)6;1-6-7(8(2,3)4)10-11(5)9-6;;/h5*1-8H3;8H,1-7H3;6*1-7H3;1-6H3;1H2,2-6H3;1-5H3;2*1H4.

What are the key properties of 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane?

3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane has a molecular weight of 3007.01 g/mol, XLogP of 52.02, 1 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-1,4-dimethyl-5-methylidene-1,2,4-triazole;4-tert-butyl-2,5-dimethyl-1-propan-2-ylimidazole;4-tert-butyl-2,5-dimethyltriazole;2,5-ditert-butyl-3,4-dimethylfuran;4,5-ditert-butyl-1,2-dimethylimidazole;1,3-ditert-butyl-4,5-dimethylpyrazole;3,5-ditert-butyl-1,4-dimethylpyrazole;2,5-ditert-butyl-3,4-dimethylthiophene;2,5-ditert-butyl-4-methyl-1,3-oxazole;4,5-ditert-butyl-2-methyl-1,3-oxazole;bis(2,4-ditert-butyl-5-methyl-1,3-thiazole);4,5-ditert-butyl-2-methyl-1,3-thiazole;3,4-ditert-butyl-5-methyl-1,2,4-triazole;2,5-ditert-butyl-1,3,4-oxadiazole;methane is sourced from PubChem (CID 158302066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).