3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

C122H254N26O4S4 — CID 167582207

About 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene

3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (PubChem CID 167582207) has the molecular formula C122H254N26O4S4 and a molecular weight of 2277.82 g/mol. Its IUPAC name is 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
• PubChem CID: 167582207
• Molecular Formula: C122H254N26O4S4
• Molecular Weight: 2277.82 g/mol
• Exact Mass: 2275.94
• IUPAC Name: 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene
• SMILES: C.C.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CN1CCn2c(nnc2C(C)(C)C)C1.Cn1cccc1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.Cn1cnnc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1
• InChI: InChI=1S/C10H18N4.C5H7N.12C5H12.C4H6N2.C4H4O.C4H4S.C4H10.3C3H5N3.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.8CH4/c1-10(2,3)9-12-11-8-7-13(4)5-6-14(8)9;1-6-4-2-3-5-6;12*1-5(2,3)4;1-6-3-2-5-4-6;2*1-2-4-5-3-1;1-4(2)3;2*1-6-2-4-5-3-6;1-6-3-4-2-5-6;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;;;;;;;;/h5-7H2,1-4H3;2-5H,1H3;12*1-4H3;2-4H,1H3;2*1-4H;4H,1-3H3;3*2-3H,1H3;2*1-3H;4*1-2H;8*1H4
• InChIKey: HICJLICLKSWJJA-UHFFFAOYSA-N
• XLogP: 39.35
• TPSA: 330.29 Ų
• H-Bond Acceptors: 34
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2277.82
LogP ≤ 5	39.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

The IUPAC name of 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene (CID 167582207) is 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene.

What is the SMILES notation for 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

The canonical SMILES for 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is C.C.C.C.C.C.C.C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)(C)C.CC(C)C.CN1CCn2c(nnc2C(C)(C)C)C1.Cn1cccc1.Cn1ccnc1.Cn1cncn1.Cn1cnnc1.Cn1cnnc1.c1ccoc1.c1ccsc1.c1cocn1.c1cscn1.c1ncon1.c1ncsn1.c1nnco1.c1nncs1.

What is the InChIKey of 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

The InChIKey is HICJLICLKSWJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4.C5H7N.12C5H12.C4H6N2.C4H4O.C4H4S.C4H10.3C3H5N3.C3H3NO.C3H3NS.2C2H2N2O.2C2H2N2S.8CH4/c1-10(2,3)9-12-11-8-7-13(4)5-6-14(8)9;1-6-4-2-3-5-6;12*1-5(2,3)4;1-6-3-2-5-4-6;2*1-2-4-5-3-1;1-4(2)3;2*1-6-2-4-5-3-6;1-6-3-4-2-5-6;2*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;;;;;;;;/h5-7H2,1-4H3;2-5H,1H3;12*1-4H3;2-4H,1H3;2*1-4H;4H,1-3H3;3*2-3H,1H3;2*1-3H;4*1-2H;8*1H4.

What are the key properties of 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene?

3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene has a molecular weight of 2277.82 g/mol, XLogP of 39.35, 0 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;dodecakis(2,2-dimethylpropane);furan;methane;1-methylimidazole;2-methylpropane;1-methylpyrrole;1-methyl-1,2,4-triazole;bis(4-methyl-1,2,4-triazole);1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 167582207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).