2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride

C13H18ClN5 — CID 118741808

IUPAC2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride
SMILESCCc1nccn1-c1cncc(C2CCCN2)n1.Cl
InChIInChI=1S/C13H17N5.ClH/c1-2-12-16-6-7-18(12)13-9-14-8-11(17-13)10-4-3-5-15-10;/h6-10,15H,2-5H2,1H3;1H
InChIKeyOUGYREFSEMZFBH-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.07
Rot. Bonds3

About 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride

2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride (PubChem CID 118741808) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride
PubChem CID118741808
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride
SMILESCCc1nccn1-c1cncc(C2CCCN2)n1.Cl
InChIInChI=1S/C13H17N5.ClH/c1-2-12-16-6-7-18(12)13-9-14-8-11(17-13)10-4-3-5-15-10;/h6-10,15H,2-5H2,1H3;1H
InChIKeyOUGYREFSEMZFBH-UHFFFAOYSA-N
XLogP2.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride (CID 118741808) is 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride is CCc1nccn1-c1cncc(C2CCCN2)n1.Cl.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride?
The InChIKey is OUGYREFSEMZFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5.ClH/c1-2-12-16-6-7-18(12)13-9-14-8-11(17-13)10-4-3-5-15-10;/h6-10,15H,2-5H2,1H3;1H.
What are the key properties of 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride?
2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-6-pyrrolidin-2-ylpyrazine;hydrochloride is sourced from PubChem (CID 118741808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).