2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C8H9N7O — CID 66272409

IUPAC2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILES[N-]=[N+]=NCCCn1nc2cnccn2c1=O
InChIInChI=1S/C8H9N7O/c9-13-11-2-1-4-15-8(16)14-5-3-10-6-7(14)12-15/h3,5-6H,1-2,4H2
InChIKeyRINISPVTYSWRBR-UHFFFAOYSA-N
MW219.21 g/mol
LogP0.59
Rot. Bonds4

About 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one

2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 66272409) has the molecular formula C8H9N7O and a molecular weight of 219.21 g/mol. Its IUPAC name is 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID66272409
Molecular FormulaC8H9N7O
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILES[N-]=[N+]=NCCCn1nc2cnccn2c1=O
InChIInChI=1S/C8H9N7O/c9-13-11-2-1-4-15-8(16)14-5-3-10-6-7(14)12-15/h3,5-6H,1-2,4H2
InChIKeyRINISPVTYSWRBR-UHFFFAOYSA-N
XLogP0.59
TPSA100.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-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 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 66272409) is 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is [N-]=[N+]=NCCCn1nc2cnccn2c1=O.
What is the InChIKey of 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is RINISPVTYSWRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N7O/c9-13-11-2-1-4-15-8(16)14-5-3-10-6-7(14)12-15/h3,5-6H,1-2,4H2.
What are the key properties of 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 219.21 g/mol, XLogP of 0.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropyl)-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 66272409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).