5-(dimethylamino)-2-(triazol-2-yl)benzoic acid

C11H12N4O2 — CID 118917856

IUPAC5-(dimethylamino)-2-(triazol-2-yl)benzoic acid
SMILESCN(C)c1ccc(-n2nccn2)c(C(=O)O)c1
InChIInChI=1S/C11H12N4O2/c1-14(2)8-3-4-10(9(7-8)11(16)17)15-12-5-6-13-15/h3-7H,1-2H3,(H,16,17)
InChIKeyBDOFONCXZUQACF-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.03
Rot. Bonds3

About 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid

5-(dimethylamino)-2-(triazol-2-yl)benzoic acid (PubChem CID 118917856) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid.

Molecular Properties

Compound Name5-(dimethylamino)-2-(triazol-2-yl)benzoic acid
PubChem CID118917856
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-(dimethylamino)-2-(triazol-2-yl)benzoic acid
SMILESCN(C)c1ccc(-n2nccn2)c(C(=O)O)c1
InChIInChI=1S/C11H12N4O2/c1-14(2)8-3-4-10(9(7-8)11(16)17)15-12-5-6-13-15/h3-7H,1-2H3,(H,16,17)
InChIKeyBDOFONCXZUQACF-UHFFFAOYSA-N
XLogP1.03
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid?
The IUPAC name of 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid (CID 118917856) is 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid.
What is the SMILES notation for 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid?
The canonical SMILES for 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid is CN(C)c1ccc(-n2nccn2)c(C(=O)O)c1.
What is the InChIKey of 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid?
The InChIKey is BDOFONCXZUQACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c1-14(2)8-3-4-10(9(7-8)11(16)17)15-12-5-6-13-15/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid?
5-(dimethylamino)-2-(triazol-2-yl)benzoic acid has a molecular weight of 232.24 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-(triazol-2-yl)benzoic acid is sourced from PubChem (CID 118917856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).