1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole

C48H104N24O6 — CID 158690696

About 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole

1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole (PubChem CID 158690696) has the molecular formula C48H104N24O6 and a molecular weight of 1113.52 g/mol. Its IUPAC name is 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole
• PubChem CID: 158690696
• Molecular Formula: C48H104N24O6
• Molecular Weight: 1113.52 g/mol
• Exact Mass: 1112.86
• IUPAC Name: 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole
• SMILES: C.C.C.C.C.C.C.C.C.C.CN1CCCC1.Cc1cn(C)cn1.Cc1n[nH]c(=O)[nH]1.Cc1n[nH]c(=O)n1C.Cc1nc(N)no1.Cc1nn[nH]n1.Cc1noc(=O)[nH]1.Cc1noc(C)c1C.Cn1ccnc1.Cn1cncn1
• InChI: InChI=1S/C6H9NO.C5H8N2.C5H11N.C4H7N3O.C4H6N2.2C3H5N3O.C3H5N3.C3H4N2O2.C2H4N4.10CH4/c1-4-5(2)7-8-6(4)3;1-5-3-7(2)4-6-5;1-6-4-2-3-5-6;1-3-5-6-4(8)7(3)2;1-6-3-2-5-4-6;1-2-5-3(4)6-7-2;1-2-4-3(7)6-5-2;1-6-3-4-2-5-6;1-2-4-3(6)7-5-2;1-2-3-5-6-4-2;;;;;;;;;;/h1-3H3;3-4H,1-2H3;2-5H2,1H3;1-2H3,(H,6,8);2-4H,1H3;1H3,(H2,4,6);1H3,(H2,4,5,6,7);2-3H,1H3;1H3,(H,4,5,6);1H3,(H,3,4,5,6);10*1H4
• InChIKey: IGHTWHHELKUDJH-UHFFFAOYSA-N
• XLogP: 7.60
• TPSA: 386.13 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Heavy Atoms: 78
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1113.52
LogP ≤ 5	7.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole?

The IUPAC name of 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole (CID 158690696) is 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole.

What is the SMILES notation for 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole?

The canonical SMILES for 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole is C.C.C.C.C.C.C.C.C.C.CN1CCCC1.Cc1cn(C)cn1.Cc1n[nH]c(=O)[nH]1.Cc1n[nH]c(=O)n1C.Cc1nc(N)no1.Cc1nn[nH]n1.Cc1noc(=O)[nH]1.Cc1noc(C)c1C.Cn1ccnc1.Cn1cncn1.

What is the InChIKey of 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole?

The InChIKey is IGHTWHHELKUDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H8N2.C5H11N.C4H7N3O.C4H6N2.2C3H5N3O.C3H5N3.C3H4N2O2.C2H4N4.10CH4/c1-4-5(2)7-8-6(4)3;1-5-3-7(2)4-6-5;1-6-4-2-3-5-6;1-3-5-6-4(8)7(3)2;1-6-3-2-5-4-6;1-2-5-3(4)6-7-2;1-2-4-3(7)6-5-2;1-6-3-4-2-5-6;1-2-4-3(6)7-5-2;1-2-3-5-6-4-2;;;;;;;;;;/h1-3H3;3-4H,1-2H3;2-5H2,1H3;1-2H3,(H,6,8);2-4H,1H3;1H3,(H2,4,6);1H3,(H2,4,5,6,7);2-3H,1H3;1H3,(H,4,5,6);1H3,(H,3,4,5,6);10*1H4.

What are the key properties of 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole?

1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 1113.52 g/mol, XLogP of 7.60, 0 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;3,4-dimethyl-1H-1,2,4-triazol-5-one;methane;3-methyl-1,4-dihydro-1,2,4-triazol-5-one;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;1-methylpyrrolidine;5-methyl-2H-tetrazole;1-methyl-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 158690696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).