6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole

C12H19N3 — CID 118135321

IUPAC6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole
SMILESCN1NNc2cc(CC(C)(C)C)ccc21
InChIInChI=1S/C12H19N3/c1-12(2,3)8-9-5-6-11-10(7-9)13-14-15(11)4/h5-7,13-14H,8H2,1-4H3
InChIKeyUSMHPQHACGGCIX-UHFFFAOYSA-N
MW205.31 g/mol
LogP2.56
Rot. Bonds1

About 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole

6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole (PubChem CID 118135321) has the molecular formula C12H19N3 and a molecular weight of 205.31 g/mol. Its IUPAC name is 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole.

Molecular Properties

Compound Name6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole
PubChem CID118135321
Molecular FormulaC12H19N3
Molecular Weight205.31 g/mol
Exact Mass205.16
IUPAC Name6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole
SMILESCN1NNc2cc(CC(C)(C)C)ccc21
InChIInChI=1S/C12H19N3/c1-12(2,3)8-9-5-6-11-10(7-9)13-14-15(11)4/h5-7,13-14H,8H2,1-4H3
InChIKeyUSMHPQHACGGCIX-UHFFFAOYSA-N
XLogP2.56
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.31
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole?
The IUPAC name of 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole (CID 118135321) is 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole.
What is the SMILES notation for 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole?
The canonical SMILES for 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole is CN1NNc2cc(CC(C)(C)C)ccc21.
What is the InChIKey of 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole?
The InChIKey is USMHPQHACGGCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-12(2,3)8-9-5-6-11-10(7-9)13-14-15(11)4/h5-7,13-14H,8H2,1-4H3.
What are the key properties of 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole?
6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole has a molecular weight of 205.31 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-dimethylpropyl)-3-methyl-1,2-dihydrobenzotriazole is sourced from PubChem (CID 118135321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).