1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole

C55H132N24O6 — CID 159893863

About 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole

1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole (PubChem CID 159893863) has the molecular formula C55H132N24O6 and a molecular weight of 1225.82 g/mol. Its IUPAC name is 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole.

Molecular Properties

• Compound Name: 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole
• PubChem CID: 159893863
• Molecular Formula: C55H132N24O6
• Molecular Weight: 1225.82 g/mol
• Exact Mass: 1225.08
• IUPAC Name: 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole
• SMILES: C.C.C.C.C.C.C.C.C.C.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.Cc1nc(N)no1.Cc1noc(=O)[nH]1.Cc1noc(C)c1C.Cn1ccnc1.Cn1cn[nH]c1=O.O=c1[nH]cn[nH]1.c1c[nH]cn1.c1nc[nH]n1.c1nn[nH]n1
• InChI: InChI=1S/C6H9NO.C4H6N2.C4H9N.2C3H5N3O.C3H4N2O2.C3H4N2.C2H3N3O.C2H3N3.7C2H6.CH2N4.10CH4/c1-4-5(2)7-8-6(4)3;1-6-3-2-5-4-6;1-2-4-5-3-1;1-6-2-4-5-3(6)7;1-2-5-3(4)6-7-2;1-2-4-3(6)7-5-2;1-2-5-3-4-1;6-2-3-1-4-5-2;1-3-2-5-4-1;7*1-2;1-2-4-5-3-1;;;;;;;;;;/h1-3H3;2-4H,1H3;5H,1-4H2;2H,1H3,(H,5,7);1H3,(H2,4,6);1H3,(H,4,5,6);1-3H,(H,4,5);1H,(H2,3,4,5,6);1-2H,(H,3,4,5);7*1-2H3;1H,(H,2,3,4,5);10*1H4
• InChIKey: NVCBPLYRCWDVDT-UHFFFAOYSA-N
• XLogP: 13.19
• TPSA: 416.64 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 23
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1225.82
LogP ≤ 5	13.19
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

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

The IUPAC name of 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole (CID 159893863) is 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole.

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

The canonical SMILES for 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole is C.C.C.C.C.C.C.C.C.C.C1CCNC1.CC.CC.CC.CC.CC.CC.CC.Cc1nc(N)no1.Cc1noc(=O)[nH]1.Cc1noc(C)c1C.Cn1ccnc1.Cn1cn[nH]c1=O.O=c1[nH]cn[nH]1.c1c[nH]cn1.c1nc[nH]n1.c1nn[nH]n1.

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

The InChIKey is NVCBPLYRCWDVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H6N2.C4H9N.2C3H5N3O.C3H4N2O2.C3H4N2.C2H3N3O.C2H3N3.7C2H6.CH2N4.10CH4/c1-4-5(2)7-8-6(4)3;1-6-3-2-5-4-6;1-2-4-5-3-1;1-6-2-4-5-3(6)7;1-2-5-3(4)6-7-2;1-2-4-3(6)7-5-2;1-2-5-3-4-1;6-2-3-1-4-5-2;1-3-2-5-4-1;7*1-2;1-2-4-5-3-1;;;;;;;;;;/h1-3H3;2-4H,1H3;5H,1-4H2;2H,1H3,(H,5,7);1H3,(H2,4,6);1H3,(H,4,5,6);1-3H,(H,4,5);1H,(H2,3,4,5,6);1-2H,(H,3,4,5);7*1-2H3;1H,(H,2,3,4,5);10*1H4.

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

1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole has a molecular weight of 1225.82 g/mol, XLogP of 13.19, 0 rotatable bonds, 9 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dihydro-1,2,4-triazol-5-one;ethane;1H-imidazole;methane;1-methylimidazole;5-methyl-1,2,4-oxadiazol-3-amine;3-methyl-4H-1,2,4-oxadiazol-5-one;4-methyl-1H-1,2,4-triazol-5-one;pyrrolidine;2H-tetrazole;1H-1,2,4-triazole;3,4,5-trimethyl-1,2-oxazole is sourced from PubChem (CID 159893863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).