2-(triazol-2-yl)naphthalene-1-carboxylic acid

C13H9N3O2 — CID 142790218

IUPAC2-(triazol-2-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(-n2nccn2)ccc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-13(18)12-10-4-2-1-3-9(10)5-6-11(12)16-14-7-8-15-16/h1-8H,(H,17,18)
InChIKeyVYMKOCYLJBILHW-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.12
Rot. Bonds2

About 2-(triazol-2-yl)naphthalene-1-carboxylic acid

2-(triazol-2-yl)naphthalene-1-carboxylic acid (PubChem CID 142790218) has the molecular formula C13H9N3O2 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-(triazol-2-yl)naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-(triazol-2-yl)naphthalene-1-carboxylic acid
PubChem CID142790218
Molecular FormulaC13H9N3O2
Molecular Weight239.23 g/mol
Exact Mass239.07
IUPAC Name2-(triazol-2-yl)naphthalene-1-carboxylic acid
SMILESO=C(O)c1c(-n2nccn2)ccc2ccccc12
InChIInChI=1S/C13H9N3O2/c17-13(18)12-10-4-2-1-3-9(10)5-6-11(12)16-14-7-8-15-16/h1-8H,(H,17,18)
InChIKeyVYMKOCYLJBILHW-UHFFFAOYSA-N
XLogP2.12
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(triazol-2-yl)naphthalene-1-carboxylic acid?
The IUPAC name of 2-(triazol-2-yl)naphthalene-1-carboxylic acid (CID 142790218) is 2-(triazol-2-yl)naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-(triazol-2-yl)naphthalene-1-carboxylic acid?
The canonical SMILES for 2-(triazol-2-yl)naphthalene-1-carboxylic acid is O=C(O)c1c(-n2nccn2)ccc2ccccc12.
What is the InChIKey of 2-(triazol-2-yl)naphthalene-1-carboxylic acid?
The InChIKey is VYMKOCYLJBILHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O2/c17-13(18)12-10-4-2-1-3-9(10)5-6-11(12)16-14-7-8-15-16/h1-8H,(H,17,18).
What are the key properties of 2-(triazol-2-yl)naphthalene-1-carboxylic acid?
2-(triazol-2-yl)naphthalene-1-carboxylic acid has a molecular weight of 239.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(triazol-2-yl)naphthalene-1-carboxylic acid is sourced from PubChem (CID 142790218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).