CID 69045386

C6H7N3NaO — CID 69045386

IUPAC—
SMILESNNC(=O)c1ccncc1.[Na]
InChIInChI=1S/C6H7N3O.Na/c7-9-6(10)5-1-3-8-4-2-5;/h1-4H,7H2,(H,9,10);
InChIKeyXSMXPRSGVLBCDL-UHFFFAOYSA-N
MW160.13 g/mol
LogP-0.70
Rot. Bonds1

About CID 69045386

CID 69045386 (PubChem CID 69045386) has the molecular formula C6H7N3NaO and a molecular weight of 160.13 g/mol.

Molecular Properties

Compound NameCID 69045386
PubChem CID69045386
Molecular FormulaC6H7N3NaO
Molecular Weight160.13 g/mol
Exact Mass160.05
IUPAC Name—
SMILESNNC(=O)c1ccncc1.[Na]
InChIInChI=1S/C6H7N3O.Na/c7-9-6(10)5-1-3-8-4-2-5;/h1-4H,7H2,(H,9,10);
InChIKeyXSMXPRSGVLBCDL-UHFFFAOYSA-N
XLogP-0.70
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.13
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of CID 69045386?
The IUPAC name of CID 69045386 (CID 69045386) is not available.
What is the SMILES notation for CID 69045386?
The canonical SMILES for CID 69045386 is NNC(=O)c1ccncc1.[Na].
What is the InChIKey of CID 69045386?
The InChIKey is XSMXPRSGVLBCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O.Na/c7-9-6(10)5-1-3-8-4-2-5;/h1-4H,7H2,(H,9,10);.
What are the key properties of CID 69045386?
CID 69045386 has a molecular weight of 160.13 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 69045386 is sourced from PubChem (CID 69045386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).