2-(2-ethylimidazol-1-yl)-3-methylpyrazine

C10H12N4 — CID 83066556

IUPAC2-(2-ethylimidazol-1-yl)-3-methylpyrazine
SMILESCCc1nccn1-c1nccnc1C
InChIInChI=1S/C10H12N4/c1-3-9-12-6-7-14(9)10-8(2)11-4-5-13-10/h4-7H,3H2,1-2H3
InChIKeyZFGZXZIJMSOVID-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.53
Rot. Bonds2

About 2-(2-ethylimidazol-1-yl)-3-methylpyrazine

2-(2-ethylimidazol-1-yl)-3-methylpyrazine (PubChem CID 83066556) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-3-methylpyrazine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-3-methylpyrazine
PubChem CID83066556
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name2-(2-ethylimidazol-1-yl)-3-methylpyrazine
SMILESCCc1nccn1-c1nccnc1C
InChIInChI=1S/C10H12N4/c1-3-9-12-6-7-14(9)10-8(2)11-4-5-13-10/h4-7H,3H2,1-2H3
InChIKeyZFGZXZIJMSOVID-UHFFFAOYSA-N
XLogP1.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-3-methylpyrazine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-3-methylpyrazine (CID 83066556) is 2-(2-ethylimidazol-1-yl)-3-methylpyrazine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-3-methylpyrazine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-3-methylpyrazine is CCc1nccn1-c1nccnc1C.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-3-methylpyrazine?
The InChIKey is ZFGZXZIJMSOVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-3-9-12-6-7-14(9)10-8(2)11-4-5-13-10/h4-7H,3H2,1-2H3.
What are the key properties of 2-(2-ethylimidazol-1-yl)-3-methylpyrazine?
2-(2-ethylimidazol-1-yl)-3-methylpyrazine has a molecular weight of 188.23 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-3-methylpyrazine is sourced from PubChem (CID 83066556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).