2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine

C8H11ClN4 — CID 77099201

IUPAC2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine
SMILESClCC1CC(c2cnccn2)NN1
InChIInChI=1S/C8H11ClN4/c9-4-6-3-7(13-12-6)8-5-10-1-2-11-8/h1-2,5-7,12-13H,3-4H2
InChIKeyKHCSRLFOOGGLBT-UHFFFAOYSA-N
MW198.66 g/mol
LogP0.62
Rot. Bonds2

About 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine

2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine (PubChem CID 77099201) has the molecular formula C8H11ClN4 and a molecular weight of 198.66 g/mol. Its IUPAC name is 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine
PubChem CID77099201
Molecular FormulaC8H11ClN4
Molecular Weight198.66 g/mol
Exact Mass198.07
IUPAC Name2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine
SMILESClCC1CC(c2cnccn2)NN1
InChIInChI=1S/C8H11ClN4/c9-4-6-3-7(13-12-6)8-5-10-1-2-11-8/h1-2,5-7,12-13H,3-4H2
InChIKeyKHCSRLFOOGGLBT-UHFFFAOYSA-N
XLogP0.62
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.66
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine?
The IUPAC name of 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine (CID 77099201) is 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine.
What is the SMILES notation for 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine?
The canonical SMILES for 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine is ClCC1CC(c2cnccn2)NN1.
What is the InChIKey of 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine?
The InChIKey is KHCSRLFOOGGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11ClN4/c9-4-6-3-7(13-12-6)8-5-10-1-2-11-8/h1-2,5-7,12-13H,3-4H2.
What are the key properties of 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine?
2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine has a molecular weight of 198.66 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(chloromethyl)pyrazolidin-3-yl]pyrazine is sourced from PubChem (CID 77099201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).