6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

C7H9IN2 — CID 135129321

IUPAC6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESIc1ccc2n1CCNC2
InChIInChI=1S/C7H9IN2/c8-7-2-1-6-5-9-3-4-10(6)7/h1-2,9H,3-5H2
InChIKeyOTJQKYCERFCLSL-UHFFFAOYSA-N
MW248.07 g/mol
LogP1.20
Rot. Bonds

About 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (PubChem CID 135129321) has the molecular formula C7H9IN2 and a molecular weight of 248.07 g/mol. Its IUPAC name is 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
PubChem CID135129321
Molecular FormulaC7H9IN2
Molecular Weight248.07 g/mol
Exact Mass247.98
IUPAC Name6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
SMILESIc1ccc2n1CCNC2
InChIInChI=1S/C7H9IN2/c8-7-2-1-6-5-9-3-4-10(6)7/h1-2,9H,3-5H2
InChIKeyOTJQKYCERFCLSL-UHFFFAOYSA-N
XLogP1.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The IUPAC name of 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine (CID 135129321) is 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The canonical SMILES for 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is Ic1ccc2n1CCNC2.
What is the InChIKey of 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
The InChIKey is OTJQKYCERFCLSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2/c8-7-2-1-6-5-9-3-4-10(6)7/h1-2,9H,3-5H2.
What are the key properties of 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine?
6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine has a molecular weight of 248.07 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 135129321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).