2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine

C11H16ClN3 — CID 103054391

IUPAC2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
SMILESCCC1CCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C11H16ClN3/c1-2-9-3-4-15(7-9)8-10-5-14-11(12)6-13-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKWOLXYNGPHJWMM-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.36
Rot. Bonds3

About 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine

2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine (PubChem CID 103054391) has the molecular formula C11H16ClN3 and a molecular weight of 225.72 g/mol. Its IUPAC name is 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
PubChem CID103054391
Molecular FormulaC11H16ClN3
Molecular Weight225.72 g/mol
Exact Mass225.10
IUPAC Name2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine
SMILESCCC1CCN(Cc2cnc(Cl)cn2)C1
InChIInChI=1S/C11H16ClN3/c1-2-9-3-4-15(7-9)8-10-5-14-11(12)6-13-10/h5-6,9H,2-4,7-8H2,1H3
InChIKeyKWOLXYNGPHJWMM-UHFFFAOYSA-N
XLogP2.36
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
CID 103054128
[5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazin-2-yl]hydrazine
CID 103061203
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
CID 103054287
2-chloro-5-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrazine
CID 103055291
1-[(5-chloropyrazin-2-yl)methyl]piperidin-3-ol
CID 103054140
2-chloro-5-[[4-(trifluoromethyl)piperidin-1-yl]methyl]pyrazine
CID 103054322
methyl (3S)-1-[(5-chloropyrazin-2-yl)methyl]piperidine-3-carboxylate
CID 103055325
2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine
CID 103054379
2-methyl-5-[[3-(propoxymethyl)pyrrolidin-1-yl]methyl]pyrazine
CID 131937525
2-chloro-3-[(3-ethylpyrrolidin-1-yl)methyl]pyridine
CID 115688607
1-benzyl-3-ethylpyrrolidine
CID 12648208
3-ethyl-1-[(4-methylphenyl)methyl]pyrrolidine
CID 144719735

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine (CID 103054391) is 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine is CCC1CCN(Cc2cnc(Cl)cn2)C1.
What is the InChIKey of 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine?
The InChIKey is KWOLXYNGPHJWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3/c1-2-9-3-4-15(7-9)8-10-5-14-11(12)6-13-10/h5-6,9H,2-4,7-8H2,1H3.
What are the key properties of 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine?
2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine has a molecular weight of 225.72 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-ethylpyrrolidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 103054391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).