3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole

C50H89FN22 — CID 157160041

About 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole

3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole (PubChem CID 157160041) has the molecular formula C50H89FN22 and a molecular weight of 1017.41 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
• PubChem CID: 157160041
• Molecular Formula: C50H89FN22
• Molecular Weight: 1017.41 g/mol
• Exact Mass: 1016.76
• IUPAC Name: 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole
• SMILES: CC(C)c1ncnn1C.CC(C)n1cc(F)cn1.CC(C)n1ccnn1.CC(C)n1cncn1.CCc1nccn1C(C)C.CCn1ncnc1C(C)C.Cc1nc(C)n(C(C)C)n1.Cc1ncnn1C(C)C
• InChI: InChI=1S/C8H14N2.2C7H13N3.C6H9FN2.2C6H11N3.2C5H9N3/c1-4-8-9-5-6-10(8)7(2)3;1-5(2)10-7(4)8-6(3)9-10;1-4-10-7(6(2)3)8-5-9-10;1-5(2)9-4-6(7)3-8-9;1-5(2)6-7-4-8-9(6)3;1-5(2)9-6(3)7-4-8-9;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8/h5-7H,4H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;3-5H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3
• InChIKey: AMGMYLOQEKNDEI-UHFFFAOYSA-N
• XLogP: 10.35
• TPSA: 219.90 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1017.41
LogP ≤ 5	10.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

The IUPAC name of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole (CID 157160041) is 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole.

What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole is CC(C)c1ncnn1C.CC(C)n1cc(F)cn1.CC(C)n1ccnn1.CC(C)n1cncn1.CCc1nccn1C(C)C.CCn1ncnc1C(C)C.Cc1nc(C)n(C(C)C)n1.Cc1ncnn1C(C)C.

What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

The InChIKey is AMGMYLOQEKNDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.2C7H13N3.C6H9FN2.2C6H11N3.2C5H9N3/c1-4-8-9-5-6-10(8)7(2)3;1-5(2)10-7(4)8-6(3)9-10;1-4-10-7(6(2)3)8-5-9-10;1-5(2)9-4-6(7)3-8-9;1-5(2)6-7-4-8-9(6)3;1-5(2)9-6(3)7-4-8-9;1-5(2)8-4-6-3-7-8;1-5(2)8-4-3-6-7-8/h5-7H,4H2,1-3H3;5H,1-4H3;5-6H,4H2,1-3H3;3-5H,1-2H3;2*4-5H,1-3H3;2*3-5H,1-2H3.

What are the key properties of 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole?

3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole has a molecular weight of 1017.41 g/mol, XLogP of 10.35, 10 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-1-propan-2-yl-1,2,4-triazole;2-ethyl-1-propan-2-ylimidazole;1-ethyl-5-propan-2-yl-1,2,4-triazole;4-fluoro-1-propan-2-ylpyrazole;1-methyl-5-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-yl-1,2,4-triazole;1-propan-2-yltriazole;1-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 157160041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).