2-chloro-6-(2-ethylimidazol-1-yl)pyrazine

C9H9ClN4 — CID 61405312

IUPAC2-chloro-6-(2-ethylimidazol-1-yl)pyrazine
SMILESCCc1nccn1-c1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4/c1-2-8-12-3-4-14(8)9-6-11-5-7(10)13-9/h3-6H,2H2,1H3
InChIKeyDJWADKPQTGRUSV-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.88
Rot. Bonds2

About 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine

2-chloro-6-(2-ethylimidazol-1-yl)pyrazine (PubChem CID 61405312) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(2-ethylimidazol-1-yl)pyrazine
PubChem CID61405312
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-chloro-6-(2-ethylimidazol-1-yl)pyrazine
SMILESCCc1nccn1-c1cncc(Cl)n1
InChIInChI=1S/C9H9ClN4/c1-2-8-12-3-4-14(8)9-6-11-5-7(10)13-9/h3-6H,2H2,1H3
InChIKeyDJWADKPQTGRUSV-UHFFFAOYSA-N
XLogP1.88
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine (CID 61405312) is 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine is CCc1nccn1-c1cncc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine?
The InChIKey is DJWADKPQTGRUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-2-8-12-3-4-14(8)9-6-11-5-7(10)13-9/h3-6H,2H2,1H3.
What are the key properties of 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine?
2-chloro-6-(2-ethylimidazol-1-yl)pyrazine has a molecular weight of 208.65 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-ethylimidazol-1-yl)pyrazine is sourced from PubChem (CID 61405312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).