2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine

C15H21N5 — CID 95810839

IUPAC2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1nccnc1[C@@H]1CCCN(C)C1
InChIInChI=1S/C15H21N5/c1-3-13-16-8-10-20(13)15-14(17-6-7-18-15)12-5-4-9-19(2)11-12/h6-8,10,12H,3-5,9,11H2,1-2H3/t12-/m1/s1
InChIKeyFFTLGYUFGDLTDH-GFCCVEGCSA-N
MW271.37 g/mol
LogP2.03
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine

2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine (PubChem CID 95810839) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
PubChem CID95810839
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine
SMILESCCc1nccn1-c1nccnc1[C@@H]1CCCN(C)C1
InChIInChI=1S/C15H21N5/c1-3-13-16-8-10-20(13)15-14(17-6-7-18-15)12-5-4-9-19(2)11-12/h6-8,10,12H,3-5,9,11H2,1-2H3/t12-/m1/s1
InChIKeyFFTLGYUFGDLTDH-GFCCVEGCSA-N
XLogP2.03
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine (CID 95810839) is 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine is CCc1nccn1-c1nccnc1[C@@H]1CCCN(C)C1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
The InChIKey is FFTLGYUFGDLTDH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-13-16-8-10-20(13)15-14(17-6-7-18-15)12-5-4-9-19(2)11-12/h6-8,10,12H,3-5,9,11H2,1-2H3/t12-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine?
2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine has a molecular weight of 271.37 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-3-[(3R)-1-methylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 95810839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).