3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione

C11H6ClN3O4 — CID 82369550

IUPAC3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
SMILESCOc1ccc(Cl)cc1-n1nnc2c1C(=O)OC2=O
InChIInChI=1S/C11H6ClN3O4/c1-18-7-3-2-5(12)4-6(7)15-9-8(13-14-15)10(16)19-11(9)17/h2-4H,1H3
InChIKeyULZYKMSNGNGIED-UHFFFAOYSA-N
MW279.64 g/mol
LogP1.24
Rot. Bonds2

About 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione

3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione (PubChem CID 82369550) has the molecular formula C11H6ClN3O4 and a molecular weight of 279.64 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione.

Molecular Properties

Compound Name3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
PubChem CID82369550
Molecular FormulaC11H6ClN3O4
Molecular Weight279.64 g/mol
Exact Mass279.00
IUPAC Name3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
SMILESCOc1ccc(Cl)cc1-n1nnc2c1C(=O)OC2=O
InChIInChI=1S/C11H6ClN3O4/c1-18-7-3-2-5(12)4-6(7)15-9-8(13-14-15)10(16)19-11(9)17/h2-4H,1H3
InChIKeyULZYKMSNGNGIED-UHFFFAOYSA-N
XLogP1.24
TPSA83.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.64
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-(5-chloro-2-methoxyphenyl)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-(2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369551
3-(3-chlorophenyl)furo[3,4-d]triazole-4,6-dione
CID 82369568
3-(4-methoxyphenyl)furo[3,4-d]triazole-4,6-dione
CID 82369496
1-(5-chloro-2-methoxyphenyl)-5-thiophen-2-yltriazole-4-carbonitrile
CID 94938759
1-(5-chloro-2-methoxyphenyl)-5-ethyltriazole-4-carbaldehyde
CID 82198930
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
6-(5-chloro-2-methoxyphenyl)pyrrolo[3,4-b]pyrazine-5,7-dione
CID 20866768
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-(5-chloro-2-methoxyphenyl)-5-pentan-3-yltriazole-4-carbonitrile
CID 82198943
4-chloro-N-[3-[1-(5-chloro-2-methoxyphenyl)-5-methyltriazol-4-yl]-1,2,4-thiadiazol-5-yl]benzamide
CID 22424491
2-[2-(5-chloro-2-methoxyphenyl)tetrazol-5-yl]acetic acid
CID 82305214
N-(4-tert-butylphenyl)-1-(5-chloro-2-methoxyphenyl)-N,5-dimethyltriazol-4-amine
CID 130471960

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
The IUPAC name of 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione (CID 82369550) is 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione.
What is the SMILES notation for 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
The canonical SMILES for 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione is COc1ccc(Cl)cc1-n1nnc2c1C(=O)OC2=O.
What is the InChIKey of 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
The InChIKey is ULZYKMSNGNGIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN3O4/c1-18-7-3-2-5(12)4-6(7)15-9-8(13-14-15)10(16)19-11(9)17/h2-4H,1H3.
What are the key properties of 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione?
3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione has a molecular weight of 279.64 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxyphenyl)furo[3,4-d]triazole-4,6-dione is sourced from PubChem (CID 82369550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).