2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine

C10H11ClN4 — CID 171801522

IUPAC2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine
SMILESCc1nccn1C(C)c1cnc(Cl)cn1
InChIInChI=1S/C10H11ClN4/c1-7(15-4-3-12-8(15)2)9-5-14-10(11)6-13-9/h3-7H,1-2H3
InChIKeyTWKXDQYZSQPCDL-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.24
Rot. Bonds2

About 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine

2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine (PubChem CID 171801522) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine
PubChem CID171801522
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine
SMILESCc1nccn1C(C)c1cnc(Cl)cn1
InChIInChI=1S/C10H11ClN4/c1-7(15-4-3-12-8(15)2)9-5-14-10(11)6-13-9/h3-7H,1-2H3
InChIKeyTWKXDQYZSQPCDL-UHFFFAOYSA-N
XLogP2.24
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine?
The IUPAC name of 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine (CID 171801522) is 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine?
The canonical SMILES for 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine is Cc1nccn1C(C)c1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine?
The InChIKey is TWKXDQYZSQPCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-7(15-4-3-12-8(15)2)9-5-14-10(11)6-13-9/h3-7H,1-2H3.
What are the key properties of 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine?
2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine has a molecular weight of 222.68 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-(2-methylimidazol-1-yl)ethyl]pyrazine is sourced from PubChem (CID 171801522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).