3-amino-6-iodopyrazine-2-carboxamide

C5H5IN4O — CID 46863952

IUPAC3-amino-6-iodopyrazine-2-carboxamide
SMILESNC(=O)c1nc(I)cnc1N
InChIInChI=1S/C5H5IN4O/c6-2-1-9-4(7)3(10-2)5(8)11/h1H,(H2,7,9)(H2,8,11)
InChIKeyQDHZJXAAFQGWIY-UHFFFAOYSA-N
MW264.03 g/mol
LogP-0.24
Rot. Bonds1

About 3-amino-6-iodopyrazine-2-carboxamide

3-amino-6-iodopyrazine-2-carboxamide (PubChem CID 46863952) has the molecular formula C5H5IN4O and a molecular weight of 264.03 g/mol. Its IUPAC name is 3-amino-6-iodopyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-iodopyrazine-2-carboxamide
PubChem CID46863952
Molecular FormulaC5H5IN4O
Molecular Weight264.03 g/mol
Exact Mass263.95
IUPAC Name3-amino-6-iodopyrazine-2-carboxamide
SMILESNC(=O)c1nc(I)cnc1N
InChIInChI=1S/C5H5IN4O/c6-2-1-9-4(7)3(10-2)5(8)11/h1H,(H2,7,9)(H2,8,11)
InChIKeyQDHZJXAAFQGWIY-UHFFFAOYSA-N
XLogP-0.24
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.03
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-6-iodopyrazine-2-carboxamide 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 3-amino-6-iodopyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-iodopyrazine-2-carboxamide (CID 46863952) is 3-amino-6-iodopyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-iodopyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-iodopyrazine-2-carboxamide is NC(=O)c1nc(I)cnc1N.
What is the InChIKey of 3-amino-6-iodopyrazine-2-carboxamide?
The InChIKey is QDHZJXAAFQGWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN4O/c6-2-1-9-4(7)3(10-2)5(8)11/h1H,(H2,7,9)(H2,8,11).
What are the key properties of 3-amino-6-iodopyrazine-2-carboxamide?
3-amino-6-iodopyrazine-2-carboxamide has a molecular weight of 264.03 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-iodopyrazine-2-carboxamide is sourced from PubChem (CID 46863952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).