3-(tetrazol-1-yl)isoindol-1-one

C9H5N5O — CID 90190545

IUPAC3-(tetrazol-1-yl)isoindol-1-one
SMILESO=C1N=C(n2cnnn2)c2ccccc21
InChIInChI=1S/C9H5N5O/c15-9-7-4-2-1-3-6(7)8(11-9)14-5-10-12-13-14/h1-5H
InChIKeyKIEIBPJPKBROKC-UHFFFAOYSA-N
MW199.17 g/mol
LogP0.12
Rot. Bonds

About 3-(tetrazol-1-yl)isoindol-1-one

3-(tetrazol-1-yl)isoindol-1-one (PubChem CID 90190545) has the molecular formula C9H5N5O and a molecular weight of 199.17 g/mol. Its IUPAC name is 3-(tetrazol-1-yl)isoindol-1-one.

Molecular Properties

Compound Name3-(tetrazol-1-yl)isoindol-1-one
PubChem CID90190545
Molecular FormulaC9H5N5O
Molecular Weight199.17 g/mol
Exact Mass199.05
IUPAC Name3-(tetrazol-1-yl)isoindol-1-one
SMILESO=C1N=C(n2cnnn2)c2ccccc21
InChIInChI=1S/C9H5N5O/c15-9-7-4-2-1-3-6(7)8(11-9)14-5-10-12-13-14/h1-5H
InChIKeyKIEIBPJPKBROKC-UHFFFAOYSA-N
XLogP0.12
TPSA73.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 50.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(tetrazol-1-yl)isoindol-1-one 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 3-(tetrazol-1-yl)isoindol-1-one?
The IUPAC name of 3-(tetrazol-1-yl)isoindol-1-one (CID 90190545) is 3-(tetrazol-1-yl)isoindol-1-one.
What is the SMILES notation for 3-(tetrazol-1-yl)isoindol-1-one?
The canonical SMILES for 3-(tetrazol-1-yl)isoindol-1-one is O=C1N=C(n2cnnn2)c2ccccc21.
What is the InChIKey of 3-(tetrazol-1-yl)isoindol-1-one?
The InChIKey is KIEIBPJPKBROKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N5O/c15-9-7-4-2-1-3-6(7)8(11-9)14-5-10-12-13-14/h1-5H.
What are the key properties of 3-(tetrazol-1-yl)isoindol-1-one?
3-(tetrazol-1-yl)isoindol-1-one has a molecular weight of 199.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tetrazol-1-yl)isoindol-1-one is sourced from PubChem (CID 90190545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).