2-chloro-3-(piperazin-1-ylmethyl)pyrazine

C9H13ClN4 — CID 71640616

IUPAC2-chloro-3-(piperazin-1-ylmethyl)pyrazine
SMILESClc1nccnc1CN1CCNCC1
InChIInChI=1S/C9H13ClN4/c10-9-8(12-1-2-13-9)7-14-5-3-11-4-6-14/h1-2,11H,3-7H2
InChIKeyHEEGFPVAXXYZFM-UHFFFAOYSA-N
MW212.68 g/mol
LogP0.54
Rot. Bonds2

About 2-chloro-3-(piperazin-1-ylmethyl)pyrazine

2-chloro-3-(piperazin-1-ylmethyl)pyrazine (PubChem CID 71640616) has the molecular formula C9H13ClN4 and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-3-(piperazin-1-ylmethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-3-(piperazin-1-ylmethyl)pyrazine
PubChem CID71640616
Molecular FormulaC9H13ClN4
Molecular Weight212.68 g/mol
Exact Mass212.08
IUPAC Name2-chloro-3-(piperazin-1-ylmethyl)pyrazine
SMILESClc1nccnc1CN1CCNCC1
InChIInChI=1S/C9H13ClN4/c10-9-8(12-1-2-13-9)7-14-5-3-11-4-6-14/h1-2,11H,3-7H2
InChIKeyHEEGFPVAXXYZFM-UHFFFAOYSA-N
XLogP0.54
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(piperazin-1-ylmethyl)pyrazin-2-amine
CID 82507442
1-[(2-chloro-3-pyridinyl)methyl]piperazine
CID 62471076
1-[(2-chloro-3-pyridinyl)methyl]-1,4-diazepane
CID 62471077
2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
CID 171699876
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
2-(piperazin-1-ylmethyl)-1,3,5-triazine
CID 82468295
1-[(3,5-dichlorophenyl)methyl]-1,4-diazepane
CID 61058216
piperazine;1-(pyridin-2-ylmethyl)piperazine
CID 174820345
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-[[2-(methoxymethyl)-3-pyridinyl]methyl]piperazine
CID 138472326
7-(piperazin-1-ylmethyl)imidazo[1,2-b][1,2,4]triazine
CID 83888234
5-cyclopropyl-4-(piperazin-1-ylmethyl)-1,3-oxazole
CID 82507412

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(piperazin-1-ylmethyl)pyrazine?
The IUPAC name of 2-chloro-3-(piperazin-1-ylmethyl)pyrazine (CID 71640616) is 2-chloro-3-(piperazin-1-ylmethyl)pyrazine.
What is the SMILES notation for 2-chloro-3-(piperazin-1-ylmethyl)pyrazine?
The canonical SMILES for 2-chloro-3-(piperazin-1-ylmethyl)pyrazine is Clc1nccnc1CN1CCNCC1.
What is the InChIKey of 2-chloro-3-(piperazin-1-ylmethyl)pyrazine?
The InChIKey is HEEGFPVAXXYZFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13ClN4/c10-9-8(12-1-2-13-9)7-14-5-3-11-4-6-14/h1-2,11H,3-7H2.
What are the key properties of 2-chloro-3-(piperazin-1-ylmethyl)pyrazine?
2-chloro-3-(piperazin-1-ylmethyl)pyrazine has a molecular weight of 212.68 g/mol, XLogP of 0.54, 2 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-ylmethyl)pyrazine is sourced from PubChem (CID 71640616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).