5,6-di(propan-2-yl)-2H-benzotriazole

C₁₂H₁₇N₃ — CID 118098380

About 5,6-di(propan-2-yl)-2H-benzotriazole

5,6-di(propan-2-yl)-2H-benzotriazole (PubChem CID 118098380) has the molecular formula C₁₂H₁₇N₃ and a molecular weight of 203.29 g/mol. Its IUPAC name is 5,6-di(propan-2-yl)-2H-benzotriazole.

Molecular Properties

• Compound Name: 5,6-di(propan-2-yl)-2H-benzotriazole
• PubChem CID: 118098380
• Molecular Formula: C₁₂H₁₇N₃
• Molecular Weight: 203.29 g/mol
• Exact Mass: 203.14
• IUPAC Name: 5,6-di(propan-2-yl)-2H-benzotriazole
• SMILES: CC(C)c1cc2n[nH]nc2cc1C(C)C
• InChI: InChI=1S/C12H17N3/c1-7(2)9-5-11-12(14-15-13-11)6-10(9)8(3)4/h5-8H,1-4H3,(H,13,14,15)
• InChIKey: MUSFVEZOSYRZKL-UHFFFAOYSA-N
• XLogP: 3.20
• TPSA: 41.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 15
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	203.29
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 5,6-di(propan-2-yl)-2H-benzotriazole?

The IUPAC name of 5,6-di(propan-2-yl)-2H-benzotriazole (CID 118098380) is 5,6-di(propan-2-yl)-2H-benzotriazole.

What is the SMILES notation for 5,6-di(propan-2-yl)-2H-benzotriazole?

The canonical SMILES for 5,6-di(propan-2-yl)-2H-benzotriazole is CC(C)c1cc2n[nH]nc2cc1C(C)C.

What is the InChIKey of 5,6-di(propan-2-yl)-2H-benzotriazole?

The InChIKey is MUSFVEZOSYRZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-7(2)9-5-11-12(14-15-13-11)6-10(9)8(3)4/h5-8H,1-4H3,(H,13,14,15).

What are the key properties of 5,6-di(propan-2-yl)-2H-benzotriazole?

5,6-di(propan-2-yl)-2H-benzotriazole has a molecular weight of 203.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5,6-di(propan-2-yl)-2H-benzotriazole is sourced from PubChem (CID 118098380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118098380 — identifiers, structure, computed properties (public domain)

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