2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine

C12H18ClN3 — CID 103054379

IUPAC2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine
SMILESCCC1CCC(C)N1Cc1cnc(Cl)cn1
InChIInChI=1S/C12H18ClN3/c1-3-11-5-4-9(2)16(11)8-10-6-15-12(13)7-14-10/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyNLKSZZHRJBOZRM-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.89
Rot. Bonds3

About 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine

2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine (PubChem CID 103054379) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine
PubChem CID103054379
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine
SMILESCCC1CCC(C)N1Cc1cnc(Cl)cn1
InChIInChI=1S/C12H18ClN3/c1-3-11-5-4-9(2)16(11)8-10-6-15-12(13)7-14-10/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyNLKSZZHRJBOZRM-UHFFFAOYSA-N
XLogP2.89
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine (CID 103054379) is 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine is CCC1CCC(C)N1Cc1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine?
The InChIKey is NLKSZZHRJBOZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-3-11-5-4-9(2)16(11)8-10-6-15-12(13)7-14-10/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine?
2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine has a molecular weight of 239.75 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]pyrazine is sourced from PubChem (CID 103054379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).