ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole

C155H282N30O2S — CID 163702837

About ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole

ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole (PubChem CID 163702837) has the molecular formula C155H282N30O2S and a molecular weight of 2630.24 g/mol. Its IUPAC name is ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole.

Molecular Properties

• Compound Name: ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole
• PubChem CID: 163702837
• Molecular Formula: C155H282N30O2S
• Molecular Weight: 2630.24 g/mol
• Exact Mass: 2628.26
• IUPAC Name: ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole
• SMILES: C=C1C=CN(C(C)C)C=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C8H12N2.3C8H11N.5C7H10N2.3C7H11N.C6H10N2O.C6H10N2S.2C6H10N2.C6H9NO.C5H9N3.16C2H6/c1-7(2)10-5-4-8(3)9-6-10;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;3*1-7(2)8-5-3-4-6-8;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-4-3-6-7-8;16*1-2/h4-7H,3H2,1-2H3;3*3-7H,1-2H3;5*3-6H,1-2H3;3*3-7H,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;16*1-2H3
• InChIKey: KCNLBZIFZIQIJJ-UHFFFAOYSA-N
• XLogP: 48.06
• TPSA: 355.04 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2630.24
LogP ≤ 5	48.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

The IUPAC name of ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole (CID 163702837) is ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole.

What is the SMILES notation for ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

The canonical SMILES for ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole is C=C1C=CN(C(C)C)C=N1.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)c1cccnc1.CC(C)c1cccnc1.CC(C)c1cccnn1.CC(C)c1ccncc1.CC(C)c1ccncn1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1ncco1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnn1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.

What is the InChIKey of ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

The InChIKey is KCNLBZIFZIQIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2.3C8H11N.5C7H10N2.3C7H11N.C6H10N2O.C6H10N2S.2C6H10N2.C6H9NO.C5H9N3.16C2H6/c1-7(2)10-5-4-8(3)9-6-10;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-4-3-5-9-6-8;1-6(2)7-3-8-5-9-4-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-3-4-8-5-9-7;1-6(2)7-8-4-3-5-9-7;1-6(2)7-4-3-5-8-9-7;3*1-7(2)8-5-3-4-6-8;2*1-4(2)6-8-7-5(3)9-6;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)6-7-3-4-8-6;1-5(2)8-4-3-6-7-8;16*1-2/h4-7H,3H2,1-2H3;3*3-7H,1-2H3;5*3-6H,1-2H3;3*3-7H,1-2H3;2*4H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;16*1-2H3.

What are the key properties of ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole?

ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole has a molecular weight of 2630.24 g/mol, XLogP of 48.06, 18 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;4-methylidene-1-propan-2-ylpyrimidine;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-propan-2-ylimidazole;2-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;1-propan-2-ylpyrazole;3-propan-2-ylpyridazine;bis(3-propan-2-ylpyridine);4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;4-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;tris(1-propan-2-ylpyrrole);1-propan-2-yltriazole is sourced from PubChem (CID 163702837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).