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

C12H17N3 — CID 118098380

IUPAC5,6-di(propan-2-yl)-2H-benzotriazole
SMILESCC(C)c1cc2n[nH]nc2cc1C(C)C
InChIInChI=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)
InChIKeyMUSFVEZOSYRZKL-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.20
Rot. Bonds2

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 Name5,6-di(propan-2-yl)-2H-benzotriazole
PubChem CID118098380
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name5,6-di(propan-2-yl)-2H-benzotriazole
SMILESCC(C)c1cc2n[nH]nc2cc1C(C)C
InChIInChI=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)
InChIKeyMUSFVEZOSYRZKL-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).