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

C3H4N6O2 — CID 67272207

IUPAC5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one
SMILESO=C1NNC(c2nn[nH]n2)O1
InChIInChI=1S/C3H4N6O2/c10-3-7-6-2(11-3)1-4-8-9-5-1/h2,6H,(H,7,10)(H,4,5,8,9)
InChIKeyWEMPXCVZXNIZMO-UHFFFAOYSA-N
MW156.11 g/mol
LogP-1.56
Rot. Bonds1

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

5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one (PubChem CID 67272207) has the molecular formula C3H4N6O2 and a molecular weight of 156.11 g/mol. Its IUPAC name is 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one.

Molecular Properties

Compound Name5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one
PubChem CID67272207
Molecular FormulaC3H4N6O2
Molecular Weight156.11 g/mol
Exact Mass156.04
IUPAC Name5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one
SMILESO=C1NNC(c2nn[nH]n2)O1
InChIInChI=1S/C3H4N6O2/c10-3-7-6-2(11-3)1-4-8-9-5-1/h2,6H,(H,7,10)(H,4,5,8,9)
InChIKeyWEMPXCVZXNIZMO-UHFFFAOYSA-N
XLogP-1.56
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 5-1.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one?
The IUPAC name of 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one (CID 67272207) is 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one.
What is the SMILES notation for 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one?
The canonical SMILES for 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one is O=C1NNC(c2nn[nH]n2)O1.
What is the InChIKey of 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one?
The InChIKey is WEMPXCVZXNIZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N6O2/c10-3-7-6-2(11-3)1-4-8-9-5-1/h2,6H,(H,7,10)(H,4,5,8,9).
What are the key properties of 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one?
5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one has a molecular weight of 156.11 g/mol, XLogP of -1.56, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2H-tetrazol-5-yl)-1,3,4-oxadiazolidin-2-one is sourced from PubChem (CID 67272207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).