ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole

C122H257N25O3S — CID 159531317

About ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole

ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole (PubChem CID 159531317) has the molecular formula C122H257N25O3S and a molecular weight of 2154.64 g/mol. Its IUPAC name is ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole.

Molecular Properties

• Compound Name: ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole
• PubChem CID: 159531317
• Molecular Formula: C122H257N25O3S
• Molecular Weight: 2154.64 g/mol
• Exact Mass: 2153.04
• IUPAC Name: ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole
• SMILES: C=C1C=CC=CN1C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccn1.CC(C)n1ccn(C)c1=O.CC(C)n1cncn1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1nccn1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1nnco1
• InChI: InChI=1S/C7H12N2O.C7H9N.C6H10N2.C5H9N3.C5H5N.2C4H6N2.C4H4N2.10C4H10.2C3H5N3.C3H3NO.C3H3NS.C2H2N2O.13C2H6/c1-6(2)9-5-4-8(3)7(9)10;1-7-5-3-4-6-8(7)2;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-5-4-6-3-1;10*1-4(2)3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;2*1-2-5-3-4-1;1-3-4-2-5-1;13*1-2/h4-6H,1-3H3;3-6H,1H2,2H3;3-6H,1-2H3;3-5H,1-2H3;1-5H;2*2-4H,1H3;1-4H;10*4H,1-3H3;2*2-3H,1H3;2*1-3H;1-2H;13*1-2H3
• InChIKey: MDAMFOZMOJAALZ-UHFFFAOYSA-N
• XLogP: 38.49
• TPSA: 292.27 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 3
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2154.64
LogP ≤ 5	38.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole?

The IUPAC name of ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole (CID 159531317) is ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole.

What is the SMILES notation for ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole?

The canonical SMILES for ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole is C=C1C=CC=CN1C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)n1cccn1.CC(C)n1ccn(C)c1=O.CC(C)n1cncn1.Cn1cccn1.Cn1ccnc1.Cn1cncn1.Cn1nccn1.c1ccncc1.c1cncnc1.c1cocn1.c1cscn1.c1nnco1.

What is the InChIKey of ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole?

The InChIKey is MDAMFOZMOJAALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O.C7H9N.C6H10N2.C5H9N3.C5H5N.2C4H6N2.C4H4N2.10C4H10.2C3H5N3.C3H3NO.C3H3NS.C2H2N2O.13C2H6/c1-6(2)9-5-4-8(3)7(9)10;1-7-5-3-4-6-8(7)2;1-6(2)8-5-3-4-7-8;1-5(2)8-4-6-3-7-8;1-2-4-6-5-3-1;1-6-3-2-5-4-6;1-6-4-2-3-5-6;1-2-5-4-6-3-1;10*1-4(2)3;1-6-3-4-2-5-6;1-6-4-2-3-5-6;2*1-2-5-3-4-1;1-3-4-2-5-1;13*1-2/h4-6H,1-3H3;3-6H,1H2,2H3;3-6H,1-2H3;3-5H,1-2H3;1-5H;2*2-4H,1H3;1-4H;10*4H,1-3H3;2*2-3H,1H3;2*1-3H;1-2H;13*1-2H3.

What are the key properties of ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole?

ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole has a molecular weight of 2154.64 g/mol, XLogP of 38.49, 3 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;1-methylimidazole;1-methyl-2-methylidenepyridine;decakis(2-methylpropane);1-methyl-3-propan-2-ylimidazol-2-one;1-methylpyrazole;1-methyl-1,2,4-triazole;2-methyltriazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylpyrazole;1-propan-2-yl-1,2,4-triazole;pyridine;pyrimidine;1,3-thiazole is sourced from PubChem (CID 159531317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).