2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one

C3H2N6O2 — CID 173058330

IUPAC2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one
SMILESO=C1N=NC(c2nn[nH]n2)O1
InChIInChI=1S/C3H2N6O2/c10-3-7-6-2(11-3)1-4-8-9-5-1/h2H,(H,4,5,8,9)
InChIKeyDSARSQNESWRXOE-UHFFFAOYSA-N
MW154.09 g/mol
LogP-0.20
Rot. Bonds1

About 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one

2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one (PubChem CID 173058330) has the molecular formula C3H2N6O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one.

Molecular Properties

Compound Name2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one
PubChem CID173058330
Molecular FormulaC3H2N6O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Name2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one
SMILESO=C1N=NC(c2nn[nH]n2)O1
InChIInChI=1S/C3H2N6O2/c10-3-7-6-2(11-3)1-4-8-9-5-1/h2H,(H,4,5,8,9)
InChIKeyDSARSQNESWRXOE-UHFFFAOYSA-N
XLogP-0.20
TPSA105.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-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 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one?
The IUPAC name of 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one (CID 173058330) is 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one.
What is the SMILES notation for 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one?
The canonical SMILES for 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one is O=C1N=NC(c2nn[nH]n2)O1.
What is the InChIKey of 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one?
The InChIKey is DSARSQNESWRXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2N6O2/c10-3-7-6-2(11-3)1-4-8-9-5-1/h2H,(H,4,5,8,9).
What are the key properties of 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one?
2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one has a molecular weight of 154.09 g/mol, XLogP of -0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2H-tetrazol-5-yl)-2H-1,3,4-oxadiazol-5-one is sourced from PubChem (CID 173058330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).