2-chloro-2-piperazin-1-yl-1H-pyrazine

C8H13ClN4 — CID 66897186

IUPAC2-chloro-2-piperazin-1-yl-1H-pyrazine
SMILESClC1(N2CCNCC2)C=NC=CN1
InChIInChI=1S/C8H13ClN4/c9-8(7-11-1-2-12-8)13-5-3-10-4-6-13/h1-2,7,10,12H,3-6H2
InChIKeyYELRKWWKXPFXEF-UHFFFAOYSA-N
MW200.67 g/mol
LogP-0.07
Rot. Bonds1

About 2-chloro-2-piperazin-1-yl-1H-pyrazine

2-chloro-2-piperazin-1-yl-1H-pyrazine (PubChem CID 66897186) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 2-chloro-2-piperazin-1-yl-1H-pyrazine.

Molecular Properties

Compound Name2-chloro-2-piperazin-1-yl-1H-pyrazine
PubChem CID66897186
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name2-chloro-2-piperazin-1-yl-1H-pyrazine
SMILESClC1(N2CCNCC2)C=NC=CN1
InChIInChI=1S/C8H13ClN4/c9-8(7-11-1-2-12-8)13-5-3-10-4-6-13/h1-2,7,10,12H,3-6H2
InChIKeyYELRKWWKXPFXEF-UHFFFAOYSA-N
XLogP-0.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-piperazin-1-yl-1H-pyrazine?
The IUPAC name of 2-chloro-2-piperazin-1-yl-1H-pyrazine (CID 66897186) is 2-chloro-2-piperazin-1-yl-1H-pyrazine.
What is the SMILES notation for 2-chloro-2-piperazin-1-yl-1H-pyrazine?
The canonical SMILES for 2-chloro-2-piperazin-1-yl-1H-pyrazine is ClC1(N2CCNCC2)C=NC=CN1.
What is the InChIKey of 2-chloro-2-piperazin-1-yl-1H-pyrazine?
The InChIKey is YELRKWWKXPFXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c9-8(7-11-1-2-12-8)13-5-3-10-4-6-13/h1-2,7,10,12H,3-6H2.
What are the key properties of 2-chloro-2-piperazin-1-yl-1H-pyrazine?
2-chloro-2-piperazin-1-yl-1H-pyrazine has a molecular weight of 200.67 g/mol, XLogP of -0.07, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-piperazin-1-yl-1H-pyrazine is sourced from PubChem (CID 66897186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).