3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione

C10H4ClN3O3 — CID 82369568

IUPAC3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione
SMILESO=C1OC(=O)c2c1nnn2-c1cccc(Cl)c1
InChIInChI=1S/C10H4ClN3O3/c11-5-2-1-3-6(4-5)14-8-7(12-13-14)9(15)17-10(8)16/h1-4H
InChIKeyIDEPKGIIYVDDIP-UHFFFAOYSA-N
MW249.61 g/mol
LogP1.23
Rot. Bonds1

About 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione

3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione (PubChem CID 82369568) has the molecular formula C10H4ClN3O3 and a molecular weight of 249.61 g/mol. Its IUPAC name is 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione.

Molecular Properties

Compound Name3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione
PubChem CID82369568
Molecular FormulaC10H4ClN3O3
Molecular Weight249.61 g/mol
Exact Mass248.99
IUPAC Name3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione
SMILESO=C1OC(=O)c2c1nnn2-c1cccc(Cl)c1
InChIInChI=1S/C10H4ClN3O3/c11-5-2-1-3-6(4-5)14-8-7(12-13-14)9(15)17-10(8)16/h1-4H
InChIKeyIDEPKGIIYVDDIP-UHFFFAOYSA-N
XLogP1.23
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.61
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369550
3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369496
4-(4,6-dioxofuro[3,4-d]triazol-3-yl)benzoic acid
CID 82369565
3-(3-chlorophenyl)-5-(4-methylphenyl)triazol-4-amine
CID 82370797
1-[1-(3-chlorophenyl)-5-methyltriazol-4-yl]ethanamine
CID 43671186
1-(3-chlorophenyl)-5-(4-methoxyphenyl)triazole-4-carbaldehyde
CID 94939920
3-(3-chlorophenyl)-5-(3,4-dimethylphenyl)triazol-4-amine
CID 82370798
3-(2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369551
1-(3-chlorophenyl)-5-(3-fluorophenyl)triazole-4-carbaldehyde
CID 82200370
1-(3-bromophenyl)-5-(3-chlorophenyl)triazole-4-carboxylic acid
CID 112707644
[5-(3-chlorophenyl)-1-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94937736
1-(3-chlorophenyl)-5-phenyltetrazole
CID 854387

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione?
The IUPAC name of 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione (CID 82369568) is 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione.
What is the SMILES notation for 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione?
The canonical SMILES for 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione is O=C1OC(=O)c2c1nnn2-c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione?
The InChIKey is IDEPKGIIYVDDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClN3O3/c11-5-2-1-3-6(4-5)14-8-7(12-13-14)9(15)17-10(8)16/h1-4H.
What are the key properties of 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione?
3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione has a molecular weight of 249.61 g/mol, XLogP of 1.23, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione is sourced from PubChem (CID 82369568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).