1,5-diamino-2,4-didiazopentan-3-one

C5H8N6O — CID 54262980

IUPAC1,5-diamino-2,4-didiazopentan-3-one
SMILES[N-]=[N+]=C(CN)C(=O)C(CN)=[N+]=[N-]
InChIInChI=1S/C5H8N6O/c6-1-3(10-8)5(12)4(2-7)11-9/h1-2,6-7H2
InChIKeyREUOGMJOLFLAAN-UHFFFAOYSA-N
MW168.16 g/mol
LogP-2.19
Rot. Bonds4

About 1,5-diamino-2,4-didiazopentan-3-one

1,5-diamino-2,4-didiazopentan-3-one (PubChem CID 54262980) has the molecular formula C5H8N6O and a molecular weight of 168.16 g/mol. Its IUPAC name is 1,5-diamino-2,4-didiazopentan-3-one.

Molecular Properties

Compound Name1,5-diamino-2,4-didiazopentan-3-one
PubChem CID54262980
Molecular FormulaC5H8N6O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name1,5-diamino-2,4-didiazopentan-3-one
SMILES[N-]=[N+]=C(CN)C(=O)C(CN)=[N+]=[N-]
InChIInChI=1S/C5H8N6O/c6-1-3(10-8)5(12)4(2-7)11-9/h1-2,6-7H2
InChIKeyREUOGMJOLFLAAN-UHFFFAOYSA-N
XLogP-2.19
TPSA141.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 5-2.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 1,5-diamino-2,4-didiazopentan-3-one 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 1,5-diamino-2,4-didiazopentan-3-one?
The IUPAC name of 1,5-diamino-2,4-didiazopentan-3-one (CID 54262980) is 1,5-diamino-2,4-didiazopentan-3-one.
What is the SMILES notation for 1,5-diamino-2,4-didiazopentan-3-one?
The canonical SMILES for 1,5-diamino-2,4-didiazopentan-3-one is [N-]=[N+]=C(CN)C(=O)C(CN)=[N+]=[N-].
What is the InChIKey of 1,5-diamino-2,4-didiazopentan-3-one?
The InChIKey is REUOGMJOLFLAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O/c6-1-3(10-8)5(12)4(2-7)11-9/h1-2,6-7H2.
What are the key properties of 1,5-diamino-2,4-didiazopentan-3-one?
1,5-diamino-2,4-didiazopentan-3-one has a molecular weight of 168.16 g/mol, XLogP of -2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diamino-2,4-didiazopentan-3-one is sourced from PubChem (CID 54262980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).