3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

C61H98F6N26 — CID 162070253

About 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole

3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (PubChem CID 162070253) has the molecular formula C61H98F6N26 and a molecular weight of 1309.62 g/mol. Its IUPAC name is 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
• PubChem CID: 162070253
• Molecular Formula: C61H98F6N26
• Molecular Weight: 1309.62 g/mol
• Exact Mass: 1308.84
• IUPAC Name: 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole
• SMILES: CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1C(F)(F)F.CC(C)n1ccnn1.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1nccc1C#N.Cc1cncn1C(C)C.Cc1nnc(C)n1C(C)C
• InChI: InChI=1S/2C7H9F3N2.C7H13N3.C7H9N3.C7H12N2.2C6H10N2.2C5H9N3.C4H8N4/c1-5(2)12-4-6(3-11-12)7(8,9)10;1-5(2)12-4-3-11-6(12)7(8,9)10;1-5(2)10-6(3)8-9-7(10)4;1-6(2)10-7(5-8)3-4-9-10;1-6(2)9-5-8-4-7(9)3;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-4(2)8-3-5-6-7-8/h2*3-5H,1-2H3;5H,1-4H3;3-4,6H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3
• InChIKey: ZAZGETRZQNKETR-UHFFFAOYSA-N
• XLogP: 14.45
• TPSA: 266.44 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 10
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1309.62
LogP ≤ 5	14.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?

The IUPAC name of 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole (CID 162070253) is 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole.

What is the SMILES notation for 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?

The canonical SMILES for 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1cccn1.CC(C)n1ccnc1.CC(C)n1ccnc1C(F)(F)F.CC(C)n1ccnn1.CC(C)n1cnnc1.CC(C)n1cnnn1.CC(C)n1nccc1C#N.Cc1cncn1C(C)C.Cc1nnc(C)n1C(C)C.

What is the InChIKey of 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?

The InChIKey is ZAZGETRZQNKETR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9F3N2.C7H13N3.C7H9N3.C7H12N2.2C6H10N2.2C5H9N3.C4H8N4/c1-5(2)12-4-6(3-11-12)7(8,9)10;1-5(2)12-4-3-11-6(12)7(8,9)10;1-5(2)10-6(3)8-9-7(10)4;1-6(2)10-7(5-8)3-4-9-10;1-6(2)9-5-8-4-7(9)3;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8;1-5(2)8-3-6-7-4-8;1-5(2)8-4-3-6-7-8;1-4(2)8-3-5-6-7-8/h2*3-5H,1-2H3;5H,1-4H3;3-4,6H,1-2H3;4-6H,1-3H3;2*3-6H,1-2H3;2*3-5H,1-2H3;3-4H,1-2H3.

What are the key properties of 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole?

3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole has a molecular weight of 1309.62 g/mol, XLogP of 14.45, 10 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethyl-4-propan-2-yl-1,2,4-triazole;5-methyl-1-propan-2-ylimidazole;1-propan-2-ylimidazole;1-propan-2-ylpyrazole;2-propan-2-ylpyrazole-3-carbonitrile;1-propan-2-yltetrazole;1-propan-2-yltriazole;4-propan-2-yl-1,2,4-triazole;1-propan-2-yl-2-(trifluoromethyl)imidazole;1-propan-2-yl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 162070253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).