5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid

C14H14N4O2 — CID 171664099

IUPAC5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid
SMILESO=C(O)C1NNNC1c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H14N4O2/c19-14(20)13-12(16-18-17-13)10-6-4-9(5-7-10)11-3-1-2-8-15-11/h1-8,12-13,16-18H,(H,19,20)
InChIKeyGHSMXHYRNFDZSE-UHFFFAOYSA-N
MW270.29 g/mol
LogP0.86
Rot. Bonds3

About 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid

5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid (PubChem CID 171664099) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid.

Molecular Properties

Compound Name5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid
PubChem CID171664099
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid
SMILESO=C(O)C1NNNC1c1ccc(-c2ccccn2)cc1
InChIInChI=1S/C14H14N4O2/c19-14(20)13-12(16-18-17-13)10-6-4-9(5-7-10)11-3-1-2-8-15-11/h1-8,12-13,16-18H,(H,19,20)
InChIKeyGHSMXHYRNFDZSE-UHFFFAOYSA-N
XLogP0.86
TPSA86.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 50.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-fluorophenyl)phenyl]triazolidine-4-carboxylic acid
CID 171664113
5-[4-(3H-benzimidazol-5-yl)phenyl]triazolidine-4-carboxylic acid
CID 171664162
2-phenylpyridine;propan-2-one
CID 174845023
5-[4-(4-chloro-3-fluorophenyl)phenyl]triazolidine-4-carboxylic acid
CID 171664116
hydrazine;2-phenylpyridine
CID 158673997
4-fluoro-6-pyridin-2-yl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 170593233
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
(4-pyridin-2-ylphenyl) 2-hydroxyacetate
CID 117051700
formyl chloride;2-phenylpyridine
CID 175066008
4-(4-pyridin-2-ylphenyl)-1,4-dihydroquinazoline
CID 90231130
N-methyl-4-pyridin-2-ylbenzamide
CID 110464841

Frequently Asked Questions

What is the IUPAC name of 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid?
The IUPAC name of 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid (CID 171664099) is 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid.
What is the SMILES notation for 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid?
The canonical SMILES for 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid is O=C(O)C1NNNC1c1ccc(-c2ccccn2)cc1.
What is the InChIKey of 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid?
The InChIKey is GHSMXHYRNFDZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c19-14(20)13-12(16-18-17-13)10-6-4-9(5-7-10)11-3-1-2-8-15-11/h1-8,12-13,16-18H,(H,19,20).
What are the key properties of 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid?
5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-pyridin-2-ylphenyl)triazolidine-4-carboxylic acid is sourced from PubChem (CID 171664099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).