CID 162314144

C3H7N3NaO2 — CID 162314144

IUPAC—
SMILESCC(=O)ON=C(N)N.[Na]
InChIInChI=1S/C3H7N3O2.Na/c1-2(7)8-6-3(4)5;/h1H3,(H4,4,5,6);
InChIKeyXALAGZIMTKJUAI-UHFFFAOYSA-N
MW140.10 g/mol
LogP-1.64
Rot. Bonds1

About CID 162314144

CID 162314144 (PubChem CID 162314144) has the molecular formula C3H7N3NaO2 and a molecular weight of 140.10 g/mol.

Molecular Properties

Compound NameCID 162314144
PubChem CID162314144
Molecular FormulaC3H7N3NaO2
Molecular Weight140.10 g/mol
Exact Mass140.04
IUPAC Name—
SMILESCC(=O)ON=C(N)N.[Na]
InChIInChI=1S/C3H7N3O2.Na/c1-2(7)8-6-3(4)5;/h1H3,(H4,4,5,6);
InChIKeyXALAGZIMTKJUAI-UHFFFAOYSA-N
XLogP-1.64
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', '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 162314144?
The IUPAC name of CID 162314144 (CID 162314144) is not available.
What is the SMILES notation for CID 162314144?
The canonical SMILES for CID 162314144 is CC(=O)ON=C(N)N.[Na].
What is the InChIKey of CID 162314144?
The InChIKey is XALAGZIMTKJUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N3O2.Na/c1-2(7)8-6-3(4)5;/h1H3,(H4,4,5,6);.
What are the key properties of CID 162314144?
CID 162314144 has a molecular weight of 140.10 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162314144 is sourced from PubChem (CID 162314144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).