5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid

C8H8ClN3O2 — CID 172635328

IUPAC5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nn(C2=CCCC2)nc1Cl
InChIInChI=1S/C8H8ClN3O2/c9-7-6(8(13)14)10-12(11-7)5-3-1-2-4-5/h3H,1-2,4H2,(H,13,14)
InChIKeyNDWMBOGWZXVOKW-UHFFFAOYSA-N
MW213.62 g/mol
LogP1.65
Rot. Bonds2

About 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid

5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid (PubChem CID 172635328) has the molecular formula C8H8ClN3O2 and a molecular weight of 213.62 g/mol. Its IUPAC name is 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid
PubChem CID172635328
Molecular FormulaC8H8ClN3O2
Molecular Weight213.62 g/mol
Exact Mass213.03
IUPAC Name5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1nn(C2=CCCC2)nc1Cl
InChIInChI=1S/C8H8ClN3O2/c9-7-6(8(13)14)10-12(11-7)5-3-1-2-4-5/h3H,1-2,4H2,(H,13,14)
InChIKeyNDWMBOGWZXVOKW-UHFFFAOYSA-N
XLogP1.65
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.62
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid?
The IUPAC name of 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid (CID 172635328) is 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid?
The canonical SMILES for 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid is O=C(O)c1nn(C2=CCCC2)nc1Cl.
What is the InChIKey of 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid?
The InChIKey is NDWMBOGWZXVOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3O2/c9-7-6(8(13)14)10-12(11-7)5-3-1-2-4-5/h3H,1-2,4H2,(H,13,14).
What are the key properties of 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid?
5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid has a molecular weight of 213.62 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(cyclopenten-1-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 172635328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).