2-chloro-3-piperazin-1-ylpyrazine

C8H11ClN4 — CID 14086438

IUPAC2-chloro-3-piperazin-1-ylpyrazine
SMILESClc1nccnc1N1CCNCC1
InChIInChI=1S/C8H11ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChIKeyYSEFEUMYRXRNND-UHFFFAOYSA-N
MW198.66 g/mol
LogP0.54
Rot. Bonds1

About 2-chloro-3-piperazin-1-ylpyrazine

2-chloro-3-piperazin-1-ylpyrazine (PubChem CID 14086438) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 2-chloro-3-piperazin-1-ylpyrazine.

Molecular Properties

Compound Name2-chloro-3-piperazin-1-ylpyrazine
PubChem CID14086438
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name2-chloro-3-piperazin-1-ylpyrazine
SMILESClc1nccnc1N1CCNCC1
InChIInChI=1S/C8H11ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2
InChIKeyYSEFEUMYRXRNND-UHFFFAOYSA-N
XLogP0.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Chloro-6-(1-piperazinyl)pyrazine
CID 107992
MK-212 hydrochloride
CID 198421
1,1-Ethanediamine, N,N'-dipyrazinyl-
CID 100791
1-Piperazinylpyrazine
CID 2734639
2-(Piperazin-1-yl)pyrazine hydrochloride
CID 12200486
2,2'-(Piperazine-1,4-diyl)bis(6-chloropyrazine)
CID 12898202
2-Chloro-5-(piperazin-1-yl)pyrazine hydrochloride
CID 20361688
4-(6-Chloropyrazin-2-yl)piperazin-2-one
CID 20396002
2-Chloro-6-(4-ethylpiperazin-1-yl)pyrazine
CID 53512534
2-Chloro-3-(piperazin-1-yl)pyrazine hydrochloride
CID 85596812
N-(2-aminoethyl)pyrazin-2-amine
CID 16768175
3-Chloro-N,N-dimethylpyrazin-2-amine
CID 20483427

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-piperazin-1-ylpyrazine?
The IUPAC name of 2-chloro-3-piperazin-1-ylpyrazine (CID 14086438) is 2-chloro-3-piperazin-1-ylpyrazine.
What is the SMILES notation for 2-chloro-3-piperazin-1-ylpyrazine?
The canonical SMILES for 2-chloro-3-piperazin-1-ylpyrazine is Clc1nccnc1N1CCNCC1.
What is the InChIKey of 2-chloro-3-piperazin-1-ylpyrazine?
The InChIKey is YSEFEUMYRXRNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1-2,10H,3-6H2.
What are the key properties of 2-chloro-3-piperazin-1-ylpyrazine?
2-chloro-3-piperazin-1-ylpyrazine has a molecular weight of 198.66 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-piperazin-1-ylpyrazine is sourced from PubChem (CID 14086438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).