5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid

C7H8N6O4 — CID 107433031

IUPAC5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2nn[nH]n2)C(C(=O)O)CN1
InChIInChI=1S/C7H8N6O4/c14-4-2-13(3(1-8-4)7(16)17)6(15)5-9-11-12-10-5/h3H,1-2H2,(H,8,14)(H,16,17)(H,9,10,11,12)
InChIKeyLXFBQDIVODDBEG-UHFFFAOYSA-N
MW240.18 g/mol
LogP-2.78
Rot. Bonds2

About 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid

5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid (PubChem CID 107433031) has the molecular formula C7H8N6O4 and a molecular weight of 240.18 g/mol. Its IUPAC name is 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid
PubChem CID107433031
Molecular FormulaC7H8N6O4
Molecular Weight240.18 g/mol
Exact Mass240.06
IUPAC Name5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid
SMILESO=C1CN(C(=O)c2nn[nH]n2)C(C(=O)O)CN1
InChIInChI=1S/C7H8N6O4/c14-4-2-13(3(1-8-4)7(16)17)6(15)5-9-11-12-10-5/h3H,1-2H2,(H,8,14)(H,16,17)(H,9,10,11,12)
InChIKeyLXFBQDIVODDBEG-UHFFFAOYSA-N
XLogP-2.78
TPSA141.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.18
LogP ≤ 5-2.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid?
The IUPAC name of 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid (CID 107433031) is 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid is O=C1CN(C(=O)c2nn[nH]n2)C(C(=O)O)CN1.
What is the InChIKey of 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid?
The InChIKey is LXFBQDIVODDBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O4/c14-4-2-13(3(1-8-4)7(16)17)6(15)5-9-11-12-10-5/h3H,1-2H2,(H,8,14)(H,16,17)(H,9,10,11,12).
What are the key properties of 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid?
5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid has a molecular weight of 240.18 g/mol, XLogP of -2.78, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2H-tetrazole-5-carbonyl)piperazine-2-carboxylic acid is sourced from PubChem (CID 107433031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).