cyclopenta[d]triazole

C5H3N3 — CID 69348047

IUPACcyclopenta[d]triazole
SMILESC1=CC2=NN=NC2=C1
InChIInChI=1S/C5H3N3/c1-2-4-5(3-1)7-8-6-4/h1-3H
InChIKeyIZJPDMAOXFNGNK-UHFFFAOYSA-N
MW105.10 g/mol
LogP1.26
Rot. Bonds

About cyclopenta[d]triazole

cyclopenta[d]triazole (PubChem CID 69348047) has the molecular formula C5H3N3 and a molecular weight of 105.10 g/mol. Its IUPAC name is cyclopenta[d]triazole.

Molecular Properties

Compound Namecyclopenta[d]triazole
PubChem CID69348047
Molecular FormulaC5H3N3
Molecular Weight105.10 g/mol
Exact Mass105.03
IUPAC Namecyclopenta[d]triazole
SMILESC1=CC2=NN=NC2=C1
InChIInChI=1S/C5H3N3/c1-2-4-5(3-1)7-8-6-4/h1-3H
InChIKeyIZJPDMAOXFNGNK-UHFFFAOYSA-N
XLogP1.26
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.10
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopenta[d]triazole 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 cyclopenta[d]triazole?
The IUPAC name of cyclopenta[d]triazole (CID 69348047) is cyclopenta[d]triazole.
What is the SMILES notation for cyclopenta[d]triazole?
The canonical SMILES for cyclopenta[d]triazole is C1=CC2=NN=NC2=C1.
What is the InChIKey of cyclopenta[d]triazole?
The InChIKey is IZJPDMAOXFNGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3N3/c1-2-4-5(3-1)7-8-6-4/h1-3H.
What are the key properties of cyclopenta[d]triazole?
cyclopenta[d]triazole has a molecular weight of 105.10 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta[d]triazole is sourced from PubChem (CID 69348047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).