2-hexan-2-ylbenzotriazole

C12H17N3 — CID 14169305

IUPAC2-hexan-2-ylbenzotriazole
SMILESCCCCC(C)n1nc2ccccc2n1
InChIInChI=1S/C12H17N3/c1-3-4-7-10(2)15-13-11-8-5-6-9-12(11)14-15/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyFHBZKVOWBWYLNZ-UHFFFAOYSA-N
MW203.29 g/mol
LogP3.18
Rot. Bonds4

About 2-hexan-2-ylbenzotriazole

2-hexan-2-ylbenzotriazole (PubChem CID 14169305) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-hexan-2-ylbenzotriazole.

Molecular Properties

Compound Name2-hexan-2-ylbenzotriazole
PubChem CID14169305
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-hexan-2-ylbenzotriazole
SMILESCCCCC(C)n1nc2ccccc2n1
InChIInChI=1S/C12H17N3/c1-3-4-7-10(2)15-13-11-8-5-6-9-12(11)14-15/h5-6,8-10H,3-4,7H2,1-2H3
InChIKeyFHBZKVOWBWYLNZ-UHFFFAOYSA-N
XLogP3.18
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-ylbenzotriazole?
The IUPAC name of 2-hexan-2-ylbenzotriazole (CID 14169305) is 2-hexan-2-ylbenzotriazole.
What is the SMILES notation for 2-hexan-2-ylbenzotriazole?
The canonical SMILES for 2-hexan-2-ylbenzotriazole is CCCCC(C)n1nc2ccccc2n1.
What is the InChIKey of 2-hexan-2-ylbenzotriazole?
The InChIKey is FHBZKVOWBWYLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-4-7-10(2)15-13-11-8-5-6-9-12(11)14-15/h5-6,8-10H,3-4,7H2,1-2H3.
What are the key properties of 2-hexan-2-ylbenzotriazole?
2-hexan-2-ylbenzotriazole has a molecular weight of 203.29 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-ylbenzotriazole is sourced from PubChem (CID 14169305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).