bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole

C59H104F3N33 — CID 158459636

About bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole

bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole (PubChem CID 158459636) has the molecular formula C59H104F3N33 and a molecular weight of 1332.71 g/mol. Its IUPAC name is bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole.

Molecular Properties

• Compound Name: bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole
• PubChem CID: 158459636
• Molecular Formula: C59H104F3N33
• Molecular Weight: 1332.71 g/mol
• Exact Mass: 1331.91
• IUPAC Name: bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole
• SMILES: CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cncn1.CC(C)n1nccn1.CC(C)n1nccn1.Cc1cnn(C(C)C)n1.Cc1nnn(C(C)C)n1.Cc1nnn(C(C)C)n1
• InChI: InChI=1S/C7H9F3N2.C6H11N3.C6H10N2.2C5H10N4.6C5H9N3/c1-5(2)12-4-6(3-11-12)7(8,9)10;1-5(2)9-7-4-6(3)8-9;1-6(2)8-5-3-4-7-8;2*1-4(2)9-7-5(3)6-8-9;2*1-5(2)8-4-6-3-7-8;2*1-5(2)8-4-3-6-7-8;2*1-5(2)8-6-3-4-7-8/h3-5H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;2*4H,1-3H3;6*3-5H,1-2H3
• InChIKey: HEZVUXOSBLUOSY-UHFFFAOYSA-N
• XLogP: 11.39
• TPSA: 337.81 Ų
• H-Bond Acceptors: 33
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1332.71
LogP ≤ 5	11.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

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

The IUPAC name of bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole (CID 158459636) is bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole.

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

The canonical SMILES for bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole is CC(C)n1cc(C(F)(F)F)cn1.CC(C)n1cccn1.CC(C)n1ccnn1.CC(C)n1ccnn1.CC(C)n1cncn1.CC(C)n1cncn1.CC(C)n1nccn1.CC(C)n1nccn1.Cc1cnn(C(C)C)n1.Cc1nnn(C(C)C)n1.Cc1nnn(C(C)C)n1.

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

The InChIKey is HEZVUXOSBLUOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2.C6H11N3.C6H10N2.2C5H10N4.6C5H9N3/c1-5(2)12-4-6(3-11-12)7(8,9)10;1-5(2)9-7-4-6(3)8-9;1-6(2)8-5-3-4-7-8;2*1-4(2)9-7-5(3)6-8-9;2*1-5(2)8-4-6-3-7-8;2*1-5(2)8-4-3-6-7-8;2*1-5(2)8-6-3-4-7-8/h3-5H,1-2H3;4-5H,1-3H3;3-6H,1-2H3;2*4H,1-3H3;6*3-5H,1-2H3.

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

bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole has a molecular weight of 1332.71 g/mol, XLogP of 11.39, 11 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-methyl-2-propan-2-yltetrazole);4-methyl-2-propan-2-yltriazole;1-propan-2-ylpyrazole;bis(1-propan-2-yltriazole);bis(1-propan-2-yl-1,2,4-triazole);bis(2-propan-2-yltriazole);1-propan-2-yl-4-(trifluoromethyl)pyrazole is sourced from PubChem (CID 158459636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).