3-iodo-[1,2,4]triazolo[4,3-b]pyridazine

C5H3IN4 — CID 83382808

IUPAC3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
SMILESIc1nnc2cccnn12
InChIInChI=1S/C5H3IN4/c6-5-9-8-4-2-1-3-7-10(4)5/h1-3H
InChIKeyDWBDIXZSVJESJP-UHFFFAOYSA-N
MW246.01 g/mol
LogP0.73
Rot. Bonds

About 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine

3-iodo-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 83382808) has the molecular formula C5H3IN4 and a molecular weight of 246.01 g/mol. Its IUPAC name is 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID83382808
Molecular FormulaC5H3IN4
Molecular Weight246.01 g/mol
Exact Mass245.94
IUPAC Name3-iodo-[1,2,4]triazolo[4,3-b]pyridazine
SMILESIc1nnc2cccnn12
InChIInChI=1S/C5H3IN4/c6-5-9-8-4-2-1-3-7-10(4)5/h1-3H
InChIKeyDWBDIXZSVJESJP-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'}

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine (CID 83382808) is 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine is Ic1nnc2cccnn12.
What is the InChIKey of 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is DWBDIXZSVJESJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3IN4/c6-5-9-8-4-2-1-3-7-10(4)5/h1-3H.
What are the key properties of 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine?
3-iodo-[1,2,4]triazolo[4,3-b]pyridazine 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 3-iodo-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 83382808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).