CID 131878347

C2H5N3Na2O4 — CID 131878347

IUPAC—
SMILESO=C(O)NNC(=O)NO.[Na].[Na]
InChIInChI=1S/C2H5N3O4.2Na/c6-1(5-9)3-4-2(7)8;;/h4,9H,(H,7,8)(H2,3,5,6);;
InChIKeyWBCMIRJPJJMXFG-UHFFFAOYSA-N
MW181.06 g/mol
LogP-1.90
Rot. Bonds

About CID 131878347

CID 131878347 (PubChem CID 131878347) has the molecular formula C2H5N3Na2O4 and a molecular weight of 181.06 g/mol.

Molecular Properties

Compound NameCID 131878347
PubChem CID131878347
Molecular FormulaC2H5N3Na2O4
Molecular Weight181.06 g/mol
Exact Mass181.01
IUPAC Name—
SMILESO=C(O)NNC(=O)NO.[Na].[Na]
InChIInChI=1S/C2H5N3O4.2Na/c6-1(5-9)3-4-2(7)8;;/h4,9H,(H,7,8)(H2,3,5,6);;
InChIKeyWBCMIRJPJJMXFG-UHFFFAOYSA-N
XLogP-1.90
TPSA110.69 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.06
LogP ≤ 5-1.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of CID 131878347?
The IUPAC name of CID 131878347 (CID 131878347) is not available.
What is the SMILES notation for CID 131878347?
The canonical SMILES for CID 131878347 is O=C(O)NNC(=O)NO.[Na].[Na].
What is the InChIKey of CID 131878347?
The InChIKey is WBCMIRJPJJMXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5N3O4.2Na/c6-1(5-9)3-4-2(7)8;;/h4,9H,(H,7,8)(H2,3,5,6);;.
What are the key properties of CID 131878347?
CID 131878347 has a molecular weight of 181.06 g/mol, XLogP of -1.90, 0 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 131878347 is sourced from PubChem (CID 131878347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).