2-iodo-5-(piperazin-1-ylmethyl)pyrazine

C9H13IN4 — CID 134601215

IUPAC2-iodo-5-(piperazin-1-ylmethyl)pyrazine
SMILESIc1cnc(CN2CCNCC2)cn1
InChIInChI=1S/C9H13IN4/c10-9-6-12-8(5-13-9)7-14-3-1-11-2-4-14/h5-6,11H,1-4,7H2
InChIKeyBIDSTQCCDFGZMT-UHFFFAOYSA-N
MW304.13 g/mol
LogP0.49
Rot. Bonds2

About 2-iodo-5-(piperazin-1-ylmethyl)pyrazine

2-iodo-5-(piperazin-1-ylmethyl)pyrazine (PubChem CID 134601215) has the molecular formula C9H13IN4 and a molecular weight of 304.13 g/mol. Its IUPAC name is 2-iodo-5-(piperazin-1-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-iodo-5-(piperazin-1-ylmethyl)pyrazine
PubChem CID134601215
Molecular FormulaC9H13IN4
Molecular Weight304.13 g/mol
Exact Mass304.02
IUPAC Name2-iodo-5-(piperazin-1-ylmethyl)pyrazine
SMILESIc1cnc(CN2CCNCC2)cn1
InChIInChI=1S/C9H13IN4/c10-9-6-12-8(5-13-9)7-14-3-1-11-2-4-14/h5-6,11H,1-4,7H2
InChIKeyBIDSTQCCDFGZMT-UHFFFAOYSA-N
XLogP0.49
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.13
LogP ≤ 50.49
H-Bond Donors ≤ 51
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 2-iodo-5-(piperazin-1-ylmethyl)pyrazine?
The IUPAC name of 2-iodo-5-(piperazin-1-ylmethyl)pyrazine (CID 134601215) is 2-iodo-5-(piperazin-1-ylmethyl)pyrazine.
What is the SMILES notation for 2-iodo-5-(piperazin-1-ylmethyl)pyrazine?
The canonical SMILES for 2-iodo-5-(piperazin-1-ylmethyl)pyrazine is Ic1cnc(CN2CCNCC2)cn1.
What is the InChIKey of 2-iodo-5-(piperazin-1-ylmethyl)pyrazine?
The InChIKey is BIDSTQCCDFGZMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN4/c10-9-6-12-8(5-13-9)7-14-3-1-11-2-4-14/h5-6,11H,1-4,7H2.
What are the key properties of 2-iodo-5-(piperazin-1-ylmethyl)pyrazine?
2-iodo-5-(piperazin-1-ylmethyl)pyrazine has a molecular weight of 304.13 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-(piperazin-1-ylmethyl)pyrazine is sourced from PubChem (CID 134601215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).