CID 160601453

C4H11N3Na — CID 160601453

IUPAC—
SMILES[H]/N=N/N(CC)CC.[Na]
InChIInChI=1S/C4H11N3.Na/c1-3-7(4-2)6-5;/h5H,3-4H2,1-2H3;/b6-5+;
InChIKeyREIGARHSFGZKNR-IPZCTEOASA-N
MW124.14 g/mol
LogP0.89
Rot. Bonds3

About CID 160601453

CID 160601453 (PubChem CID 160601453) has the molecular formula C4H11N3Na and a molecular weight of 124.14 g/mol.

Molecular Properties

Compound NameCID 160601453
PubChem CID160601453
Molecular FormulaC4H11N3Na
Molecular Weight124.14 g/mol
Exact Mass124.09
IUPAC Name—
SMILES[H]/N=N/N(CC)CC.[Na]
InChIInChI=1S/C4H11N3.Na/c1-3-7(4-2)6-5;/h5H,3-4H2,1-2H3;/b6-5+;
InChIKeyREIGARHSFGZKNR-IPZCTEOASA-N
XLogP0.89
TPSA39.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze CID 160601453 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 160601453?
The IUPAC name of CID 160601453 (CID 160601453) is not available.
What is the SMILES notation for CID 160601453?
The canonical SMILES for CID 160601453 is [H]/N=N/N(CC)CC.[Na].
What is the InChIKey of CID 160601453?
The InChIKey is REIGARHSFGZKNR-IPZCTEOASA-N. The full InChI is InChI=1S/C4H11N3.Na/c1-3-7(4-2)6-5;/h5H,3-4H2,1-2H3;/b6-5+;.
What are the key properties of CID 160601453?
CID 160601453 has a molecular weight of 124.14 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 160601453 is sourced from PubChem (CID 160601453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).