2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine

C16H23N5 — CID 56877771

IUPAC2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine
SMILESCCN1CCCC(c2nccn2Cc2cnc(C)cn2)C1
InChIInChI=1S/C16H23N5/c1-3-20-7-4-5-14(11-20)16-17-6-8-21(16)12-15-10-18-13(2)9-19-15/h6,8-10,14H,3-5,7,11-12H2,1-2H3
InChIKeyWXQTUTFNIHMWLP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.23
Rot. Bonds4

About 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine

2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine (PubChem CID 56877771) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine
PubChem CID56877771
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC Name2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine
SMILESCCN1CCCC(c2nccn2Cc2cnc(C)cn2)C1
InChIInChI=1S/C16H23N5/c1-3-20-7-4-5-14(11-20)16-17-6-8-21(16)12-15-10-18-13(2)9-19-15/h6,8-10,14H,3-5,7,11-12H2,1-2H3
InChIKeyWXQTUTFNIHMWLP-UHFFFAOYSA-N
XLogP2.23
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine (CID 56877771) is 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine is CCN1CCCC(c2nccn2Cc2cnc(C)cn2)C1.
What is the InChIKey of 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine?
The InChIKey is WXQTUTFNIHMWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-3-20-7-4-5-14(11-20)16-17-6-8-21(16)12-15-10-18-13(2)9-19-15/h6,8-10,14H,3-5,7,11-12H2,1-2H3.
What are the key properties of 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine?
2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine has a molecular weight of 285.39 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-ethylpiperidin-3-yl)imidazol-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 56877771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).