5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine

C6H6IN3 — CID 87649753

IUPAC5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine
SMILESIN1CC=C2NC=CN=C21
InChIInChI=1S/C6H6IN3/c7-10-4-1-5-6(10)9-3-2-8-5/h1-3,8H,4H2
InChIKeyIEAXIWQZIKDRGF-UHFFFAOYSA-N
MW247.04 g/mol
LogP1.01
Rot. Bonds

About 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine

5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine (PubChem CID 87649753) has the molecular formula C6H6IN3 and a molecular weight of 247.04 g/mol. Its IUPAC name is 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine.

Molecular Properties

Compound Name5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine
PubChem CID87649753
Molecular FormulaC6H6IN3
Molecular Weight247.04 g/mol
Exact Mass246.96
IUPAC Name5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine
SMILESIN1CC=C2NC=CN=C21
InChIInChI=1S/C6H6IN3/c7-10-4-1-5-6(10)9-3-2-8-5/h1-3,8H,4H2
InChIKeyIEAXIWQZIKDRGF-UHFFFAOYSA-N
XLogP1.01
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine?
The IUPAC name of 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine (CID 87649753) is 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine.
What is the SMILES notation for 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine?
The canonical SMILES for 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine is IN1CC=C2NC=CN=C21.
What is the InChIKey of 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine?
The InChIKey is IEAXIWQZIKDRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3/c7-10-4-1-5-6(10)9-3-2-8-5/h1-3,8H,4H2.
What are the key properties of 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine?
5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine has a molecular weight of 247.04 g/mol, XLogP of 1.01, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,6-dihydropyrrolo[2,3-b]pyrazine is sourced from PubChem (CID 87649753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).