4-iodopyrazolo[1,5-d][1,2,4]triazine

C5H3IN4 — CID 167145613

IUPAC4-iodopyrazolo[1,5-d][1,2,4]triazine
SMILESIc1nncn2nccc12
InChIInChI=1S/C5H3IN4/c6-5-4-1-2-8-10(4)3-7-9-5/h1-3H
InChIKeyKIQBHJYCWKXDKS-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.73
Rot. Bonds

About 4-iodopyrazolo[1,5-d][1,2,4]triazine

4-iodopyrazolo[1,5-d][1,2,4]triazine (PubChem CID 167145613) has the molecular formula C5H3IN4 and a molecular weight of 246.01 g/mol. Its IUPAC name is 4-iodopyrazolo[1,5-d][1,2,4]triazine.

Molecular Properties

Compound Name4-iodopyrazolo[1,5-d][1,2,4]triazine
PubChem CID167145613
Molecular FormulaC5H3IN4
Molecular Weight246.01 g/mol
Exact Mass245.94
IUPAC Name4-iodopyrazolo[1,5-d][1,2,4]triazine
SMILESIc1nncn2nccc12
InChIInChI=1S/C5H3IN4/c6-5-4-1-2-8-10(4)3-7-9-5/h1-3H
InChIKeyKIQBHJYCWKXDKS-UHFFFAOYSA-N
XLogP0.73
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.01
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 4-iodopyrazolo[1,5-d][1,2,4]triazine 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 4-iodopyrazolo[1,5-d][1,2,4]triazine?
The IUPAC name of 4-iodopyrazolo[1,5-d][1,2,4]triazine (CID 167145613) is 4-iodopyrazolo[1,5-d][1,2,4]triazine.
What is the SMILES notation for 4-iodopyrazolo[1,5-d][1,2,4]triazine?
The canonical SMILES for 4-iodopyrazolo[1,5-d][1,2,4]triazine is Ic1nncn2nccc12.
What is the InChIKey of 4-iodopyrazolo[1,5-d][1,2,4]triazine?
The InChIKey is KIQBHJYCWKXDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4/c6-5-4-1-2-8-10(4)3-7-9-5/h1-3H.
What are the key properties of 4-iodopyrazolo[1,5-d][1,2,4]triazine?
4-iodopyrazolo[1,5-d][1,2,4]triazine has a molecular weight of 246.01 g/mol, XLogP of 0.73, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyrazolo[1,5-d][1,2,4]triazine is sourced from PubChem (CID 167145613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).