5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine

C8H13ClN4 — CID 126562586

IUPAC5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine
SMILESClC1=C(N2CCNCC2)NCC=N1
InChIInChI=1S/C8H13ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1,10,12H,2-6H2
InChIKeyXOENNLOAKVXUAQ-UHFFFAOYSA-N
MW200.67 g/mol
LogP-0.07
Rot. Bonds1

About 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine

5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine (PubChem CID 126562586) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine.

Molecular Properties

Compound Name5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine
PubChem CID126562586
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine
SMILESClC1=C(N2CCNCC2)NCC=N1
InChIInChI=1S/C8H13ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1,10,12H,2-6H2
InChIKeyXOENNLOAKVXUAQ-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': 'N-C-halo', 'substructure': 'N/A'}

Analyze 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine?
The IUPAC name of 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine (CID 126562586) is 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine.
What is the SMILES notation for 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine?
The canonical SMILES for 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine is ClC1=C(N2CCNCC2)NCC=N1.
What is the InChIKey of 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine?
The InChIKey is XOENNLOAKVXUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c9-7-8(12-2-1-11-7)13-5-3-10-4-6-13/h1,10,12H,2-6H2.
What are the key properties of 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine?
5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine 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 5-chloro-6-piperazin-1-yl-1,2-dihydropyrazine is sourced from PubChem (CID 126562586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).