1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole

C137H224N40O4S2 — CID 157246295

About 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole

1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole (PubChem CID 157246295) has the molecular formula C137H224N40O4S2 and a molecular weight of 2559.71 g/mol. Its IUPAC name is 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole.

Molecular Properties

• Compound Name: 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole
• PubChem CID: 157246295
• Molecular Formula: C137H224N40O4S2
• Molecular Weight: 2559.71 g/mol
• Exact Mass: 2557.80
• IUPAC Name: 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole
• SMILES: CC(C)C1=NN=NC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)c1nnnn1C.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1
• InChI: InChI=1S/C9H13N.C8H12N2.2C8H11N.C8H16O.C7H12N2.C7H10N2.C7H12N2.2C7H10N2.C6H11N3.C6H10N2O.C6H10N2S.2C6H10N2.C6H12O.C5H10N4.2C5H9N3.C5H8N2O.C5H8N2S/c1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-4-9(3)8-7-6;2*1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-6;1-4(2)5-6-7-8-9(5)3;2*1-4(2)5-3-6-8-7-5;2*1-4(2)5-7-6-3-8-5/h4-7H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4H,1-3H3;2*3-5H,1-2H3,(H,7,8);5-6H,3-4H2,1-2H3;4H,1-3H3;4H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3
• InChIKey: AVUREBYIQOMIHJ-UHFFFAOYSA-N
• XLogP: 33.13
• TPSA: 535.61 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 43
• Rotatable Bonds: 21
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2559.71
LogP ≤ 5	33.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?

The IUPAC name of 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole (CID 157246295) is 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole.

What is the SMILES notation for 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?

The canonical SMILES for 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole is CC(C)C1=NN=NC1.CC(C)C1CCOCC1.CC(C)C1COC1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccn(C)n1.CC(C)c1ccn[nH]1.CC(C)c1cn(C)cn1.CC(C)c1cn(C)nn1.CC(C)c1cn[nH]n1.CC(C)c1cnc[nH]1.CC(C)c1cnccn1.CC(C)c1cncnc1.CC(C)c1ncccn1.CC(C)c1nnco1.CC(C)c1nncs1.CC(C)c1nnnn1C.Cc1ccc(C(C)C)cn1.Cc1ncc(C(C)C)cn1.Cc1nnc(C(C)C)o1.Cc1nnc(C(C)C)s1.

What is the InChIKey of 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?

The InChIKey is AVUREBYIQOMIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C8H12N2.2C8H11N.C8H16O.C7H12N2.C7H10N2.C7H12N2.2C7H10N2.C6H11N3.C6H10N2O.C6H10N2S.2C6H10N2.C6H12O.C5H10N4.2C5H9N3.C5H8N2O.C5H8N2S/c1-7(2)9-5-4-8(3)10-6-9;1-6(2)8-4-9-7(3)10-5-8;1-7(2)8-4-3-5-9-6-8;1-7(2)8-5-3-4-6-9-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-9(3)5-8-7;1-6(2)7-3-8-5-9-4-7;1-6(2)7-4-5-9(3)8-7;1-6(2)7-5-8-3-4-9-7;1-6(2)7-8-4-3-5-9-7;1-5(2)6-4-9(3)8-7-6;2*1-4(2)6-8-7-5(3)9-6;1-5(2)6-3-7-4-8-6;1-5(2)6-3-4-7-8-6;1-5(2)6-3-7-4-6;1-4(2)5-6-7-8-9(5)3;2*1-4(2)5-3-6-8-7-5;2*1-4(2)5-7-6-3-8-5/h4-7H,1-3H3;4-6H,1-3H3;2*3-7H,1-2H3;7-8H,3-6H2,1-2H3;4-6H,1-3H3;3-6H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;4-5H,1-3H3;2*4H,1-3H3;2*3-5H,1-2H3,(H,7,8);5-6H,3-4H2,1-2H3;4H,1-3H3;4H,3H2,1-2H3;3-4H,1-2H3,(H,6,7,8);2*3-4H,1-2H3.

What are the key properties of 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole?

1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole has a molecular weight of 2559.71 g/mol, XLogP of 33.13, 21 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-4-propan-2-ylimidazole;2-methyl-5-propan-2-yl-1,3,4-oxadiazole;1-methyl-3-propan-2-ylpyrazole;2-methyl-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;1-methyl-5-propan-2-yltetrazole;2-methyl-5-propan-2-yl-1,3,4-thiadiazole;1-methyl-4-propan-2-yltriazole;5-propan-2-yl-1H-imidazole;2-propan-2-yl-1,3,4-oxadiazole;4-propan-2-yloxane;3-propan-2-yloxetane;2-propan-2-ylpyrazine;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;2-propan-2-ylpyrimidine;5-propan-2-ylpyrimidine;2-propan-2-yl-1,3,4-thiadiazole;4-propan-2-yl-2H-triazole;5-propan-2-yl-4H-triazole is sourced from PubChem (CID 157246295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).