4-iodo-1H-pyrazine

C4H5IN2 — CID 87369609

IUPAC4-iodo-1H-pyrazine
SMILESIN1C=CNC=C1
InChIInChI=1S/C4H5IN2/c5-7-3-1-6-2-4-7/h1-4,6H
InChIKeyIAMMBJWIZCHIOG-UHFFFAOYSA-N
MW208.00 g/mol
LogP1.18
Rot. Bonds

About 4-iodo-1H-pyrazine

4-iodo-1H-pyrazine (PubChem CID 87369609) has the molecular formula C4H5IN2 and a molecular weight of 208.00 g/mol. Its IUPAC name is 4-iodo-1H-pyrazine.

Molecular Properties

Compound Name4-iodo-1H-pyrazine
PubChem CID87369609
Molecular FormulaC4H5IN2
Molecular Weight208.00 g/mol
Exact Mass207.95
IUPAC Name4-iodo-1H-pyrazine
SMILESIN1C=CNC=C1
InChIInChI=1S/C4H5IN2/c5-7-3-1-6-2-4-7/h1-4,6H
InChIKeyIAMMBJWIZCHIOG-UHFFFAOYSA-N
XLogP1.18
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.00
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-1H-pyrazine?
The IUPAC name of 4-iodo-1H-pyrazine (CID 87369609) is 4-iodo-1H-pyrazine.
What is the SMILES notation for 4-iodo-1H-pyrazine?
The canonical SMILES for 4-iodo-1H-pyrazine is IN1C=CNC=C1.
What is the InChIKey of 4-iodo-1H-pyrazine?
The InChIKey is IAMMBJWIZCHIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5IN2/c5-7-3-1-6-2-4-7/h1-4,6H.
What are the key properties of 4-iodo-1H-pyrazine?
4-iodo-1H-pyrazine has a molecular weight of 208.00 g/mol, XLogP of 1.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1H-pyrazine is sourced from PubChem (CID 87369609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).