1-(2,6-dimethyl-4-pyridinyl)benzotriazole

C13H12N4 — CID 827483

IUPAC1-(2,6-dimethyl-4-pyridinyl)benzotriazole
SMILESCc1cc(-n2nnc3ccccc32)cc(C)n1
InChIInChI=1S/C13H12N4/c1-9-7-11(8-10(2)14-9)17-13-6-4-3-5-12(13)15-16-17/h3-8H,1-2H3
InChIKeyHDPLOEZILNPBGB-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.43
Rot. Bonds1

About 1-(2,6-dimethyl-4-pyridinyl)benzotriazole

1-(2,6-dimethyl-4-pyridinyl)benzotriazole (PubChem CID 827483) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)benzotriazole.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)benzotriazole
PubChem CID827483
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)benzotriazole
SMILESCc1cc(-n2nnc3ccccc32)cc(C)n1
InChIInChI=1S/C13H12N4/c1-9-7-11(8-10(2)14-9)17-13-6-4-3-5-12(13)15-16-17/h3-8H,1-2H3
InChIKeyHDPLOEZILNPBGB-UHFFFAOYSA-N
XLogP2.43
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)benzotriazole?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)benzotriazole (CID 827483) is 1-(2,6-dimethyl-4-pyridinyl)benzotriazole.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)benzotriazole?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)benzotriazole is Cc1cc(-n2nnc3ccccc32)cc(C)n1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)benzotriazole?
The InChIKey is HDPLOEZILNPBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-9-7-11(8-10(2)14-9)17-13-6-4-3-5-12(13)15-16-17/h3-8H,1-2H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)benzotriazole?
1-(2,6-dimethyl-4-pyridinyl)benzotriazole has a molecular weight of 224.27 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)benzotriazole is sourced from PubChem (CID 827483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).