2-oxidotetrazole-5-carboxamide

C2H2N5O2- — CID 139258261

IUPAC2-oxidotetrazole-5-carboxamide
SMILESNC(=O)c1nnn([O-])n1
InChIInChI=1S/C2H2N5O2/c3-1(8)2-4-6-7(9)5-2/h(H2,3,8)/q-1
InChIKeyXRWBWUFOIXEIQX-UHFFFAOYSA-N
MW128.07 g/mol
LogP-1.88
Rot. Bonds1

About 2-oxidotetrazole-5-carboxamide

2-oxidotetrazole-5-carboxamide (PubChem CID 139258261) has the molecular formula C2H2N5O2- and a molecular weight of 128.07 g/mol. Its IUPAC name is 2-oxidotetrazole-5-carboxamide.

Molecular Properties

Compound Name2-oxidotetrazole-5-carboxamide
PubChem CID139258261
Molecular FormulaC2H2N5O2-
Molecular Weight128.07 g/mol
Exact Mass128.02
IUPAC Name2-oxidotetrazole-5-carboxamide
SMILESNC(=O)c1nnn([O-])n1
InChIInChI=1S/C2H2N5O2/c3-1(8)2-4-6-7(9)5-2/h(H2,3,8)/q-1
InChIKeyXRWBWUFOIXEIQX-UHFFFAOYSA-N
XLogP-1.88
TPSA109.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.07
LogP ≤ 5-1.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-oxidotetrazole-5-carboxamide?
The IUPAC name of 2-oxidotetrazole-5-carboxamide (CID 139258261) is 2-oxidotetrazole-5-carboxamide.
What is the SMILES notation for 2-oxidotetrazole-5-carboxamide?
The canonical SMILES for 2-oxidotetrazole-5-carboxamide is NC(=O)c1nnn([O-])n1.
What is the InChIKey of 2-oxidotetrazole-5-carboxamide?
The InChIKey is XRWBWUFOIXEIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2N5O2/c3-1(8)2-4-6-7(9)5-2/h(H2,3,8)/q-1.
What are the key properties of 2-oxidotetrazole-5-carboxamide?
2-oxidotetrazole-5-carboxamide has a molecular weight of 128.07 g/mol, XLogP of -1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxidotetrazole-5-carboxamide is sourced from PubChem (CID 139258261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).