1-(3,3-dimethylbutan-2-yl)benzotriazole

C12H17N3 — CID 175055537

IUPAC1-(3,3-dimethylbutan-2-yl)benzotriazole
SMILESCC(n1nnc2ccccc21)C(C)(C)C
InChIInChI=1S/C12H17N3/c1-9(12(2,3)4)15-11-8-6-5-7-10(11)13-14-15/h5-9H,1-4H3
InChIKeyZJIJKRXMOLWNGO-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.04
Rot. Bonds1

About 1-(3,3-dimethylbutan-2-yl)benzotriazole

1-(3,3-dimethylbutan-2-yl)benzotriazole (PubChem CID 175055537) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 1-(3,3-dimethylbutan-2-yl)benzotriazole.

Molecular Properties

Compound Name1-(3,3-dimethylbutan-2-yl)benzotriazole
PubChem CID175055537
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name1-(3,3-dimethylbutan-2-yl)benzotriazole
SMILESCC(n1nnc2ccccc21)C(C)(C)C
InChIInChI=1S/C12H17N3/c1-9(12(2,3)4)15-11-8-6-5-7-10(11)13-14-15/h5-9H,1-4H3
InChIKeyZJIJKRXMOLWNGO-UHFFFAOYSA-N
XLogP3.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutan-2-yl)benzotriazole?
The IUPAC name of 1-(3,3-dimethylbutan-2-yl)benzotriazole (CID 175055537) is 1-(3,3-dimethylbutan-2-yl)benzotriazole.
What is the SMILES notation for 1-(3,3-dimethylbutan-2-yl)benzotriazole?
The canonical SMILES for 1-(3,3-dimethylbutan-2-yl)benzotriazole is CC(n1nnc2ccccc21)C(C)(C)C.
What is the InChIKey of 1-(3,3-dimethylbutan-2-yl)benzotriazole?
The InChIKey is ZJIJKRXMOLWNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(12(2,3)4)15-11-8-6-5-7-10(11)13-14-15/h5-9H,1-4H3.
What are the key properties of 1-(3,3-dimethylbutan-2-yl)benzotriazole?
1-(3,3-dimethylbutan-2-yl)benzotriazole has a molecular weight of 203.29 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutan-2-yl)benzotriazole is sourced from PubChem (CID 175055537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).