ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole

C60H97N17O3S2 — CID 159534008

About ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole

ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 159534008) has the molecular formula C60H97N17O3S2 and a molecular weight of 1168.69 g/mol. Its IUPAC name is ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

• Compound Name: ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
• PubChem CID: 159534008
• Molecular Formula: C60H97N17O3S2
• Molecular Weight: 1168.69 g/mol
• Exact Mass: 1167.74
• IUPAC Name: ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole
• SMILES: CC.CC.CC.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nnc(C)n1C.Cc1nnn(C)c1C.Cc1nsc(C)c1C.Cc1on(C)c(=O)c1C.c1ccncc1.c1ccnnc1.c1cncnc1
• InChI: InChI=1S/C7H12N2.C6H9NO2.C6H9NO.2C6H9NS.2C5H9N3.C5H5N.2C4H4N2.3C2H6/c1-5-6(2)9(4)7(3)8-5;1-4-5(2)9-7(3)6(4)8;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-6-7-5(2)8(4)3;1-4-5(2)8(3)7-6-4;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2/h1-4H3;1-3H3;5*1-3H3;1-5H;2*1-4H;3*1-2H3
• InChIKey: MDIWJBLUMANICH-UHFFFAOYSA-N
• XLogP: 13.65
• TPSA: 230.64 Ų
• H-Bond Acceptors: 22
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.69
LogP ≤ 5	13.65
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?

The IUPAC name of ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole (CID 159534008) is ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole.

What is the SMILES notation for ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?

The canonical SMILES for ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole is CC.CC.CC.Cc1nc(C)c(C)o1.Cc1nc(C)c(C)s1.Cc1nc(C)n(C)c1C.Cc1nnc(C)n1C.Cc1nnn(C)c1C.Cc1nsc(C)c1C.Cc1on(C)c(=O)c1C.c1ccncc1.c1ccnnc1.c1cncnc1.

What is the InChIKey of ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?

The InChIKey is MDIWJBLUMANICH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.C6H9NO2.C6H9NO.2C6H9NS.2C5H9N3.C5H5N.2C4H4N2.3C2H6/c1-5-6(2)9(4)7(3)8-5;1-4-5(2)9-7(3)6(4)8;2*1-4-5(2)8-6(3)7-4;1-4-5(2)7-8-6(4)3;1-4-6-7-5(2)8(4)3;1-4-5(2)8(3)7-6-4;1-2-4-6-5-3-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;3*1-2/h1-4H3;1-3H3;5*1-3H3;1-5H;2*1-4H;3*1-2H3.

What are the key properties of ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole?

ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1168.69 g/mol, XLogP of 13.65, 0 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;pyridazine;pyridine;pyrimidine;1,2,4,5-tetramethylimidazole;2,4,5-trimethyl-1,3-oxazole;2,4,5-trimethyl-1,2-oxazol-3-one;2,4,5-trimethyl-1,3-thiazole;3,4,5-trimethyl-1,2-thiazole;1,4,5-trimethyltriazole;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 159534008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).