2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine

C11H17ClN4 — CID 103053995

IUPAC2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine
SMILESCCN1CCN(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H17ClN4/c1-2-15-3-5-16(6-4-15)9-10-7-14-11(12)8-13-10/h7-8H,2-6,9H2,1H3
InChIKeyNUOKPYQSXUIJNX-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.27
Rot. Bonds3

About 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine

2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine (PubChem CID 103053995) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine
PubChem CID103053995
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine
SMILESCCN1CCN(Cc2cnc(Cl)cn2)CC1
InChIInChI=1S/C11H17ClN4/c1-2-15-3-5-16(6-4-15)9-10-7-14-11(12)8-13-10/h7-8H,2-6,9H2,1H3
InChIKeyNUOKPYQSXUIJNX-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-6-methylpyrazine
CID 7170095
2-Chloro-5-methylpyrazine
CID 12600386
(5-Chloropyrazin-2-yl)methanamine
CID 21714700
2-Chloro-6-(1-propan-2-ylpiperidin-2-yl)pyrazine
CID 66509922
2-[(Piperazin-1-yl)methyl]pyrazine trihydrochloride
CID 126805766
N-[(5-chloropyrazin-2-yl)methyl]-2,2,2-trifluoro-N-methylethanamine
CID 103054102
2-Chloro-6-[(3-fluoroazetidin-1-yl)methyl]pyrazine
CID 118279233
2-Chloro-5-[(4,4-difluoropiperidin-1-yl)methyl]pyrazine
CID 118279273
2-Chloro-5-[(3,3-difluoroazetidin-1-yl)methyl]pyrazine
CID 118279295
2-Chloro-5-[(3,3-difluoropiperidin-1-yl)methyl]pyrazine
CID 118279344
2-Chloro-6-[(4,4-difluoropiperidin-1-yl)methyl]pyrazine
CID 118279384
2-Chloro-5-[(3-fluoroazetidin-1-yl)methyl]pyrazine
CID 118279395

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine?
The IUPAC name of 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine (CID 103053995) is 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine is CCN1CCN(Cc2cnc(Cl)cn2)CC1.
What is the InChIKey of 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine?
The InChIKey is NUOKPYQSXUIJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c1-2-15-3-5-16(6-4-15)9-10-7-14-11(12)8-13-10/h7-8H,2-6,9H2,1H3.
What are the key properties of 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine?
2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine has a molecular weight of 240.74 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(4-ethylpiperazin-1-yl)methyl]pyrazine is sourced from PubChem (CID 103053995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).