2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione

C10H7N5O2 — CID 15079202

IUPAC2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nn[nH]n1
InChIInChI=1S/C10H7N5O2/c16-9-6-3-1-2-4-7(6)10(17)15(9)5-8-11-13-14-12-8/h1-4H,5H2,(H,11,12,13,14)
InChIKeyVFUQQSCRUOAHCE-UHFFFAOYSA-N
MW229.20 g/mol
LogP-0.00
Rot. Bonds2

About 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione

2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione (PubChem CID 15079202) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione
PubChem CID15079202
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1Cc1nn[nH]n1
InChIInChI=1S/C10H7N5O2/c16-9-6-3-1-2-4-7(6)10(17)15(9)5-8-11-13-14-12-8/h1-4H,5H2,(H,11,12,13,14)
InChIKeyVFUQQSCRUOAHCE-UHFFFAOYSA-N
XLogP-0.00
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione 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 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione (CID 15079202) is 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1Cc1nn[nH]n1.
What is the InChIKey of 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione?
The InChIKey is VFUQQSCRUOAHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c16-9-6-3-1-2-4-7(6)10(17)15(9)5-8-11-13-14-12-8/h1-4H,5H2,(H,11,12,13,14).
What are the key properties of 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione?
2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione has a molecular weight of 229.20 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 15079202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).