3-(2-chloroethyl)imidazo[1,5-a]pyrazine

C8H8ClN3 — CID 21265874

IUPAC3-(2-chloroethyl)imidazo[1,5-a]pyrazine
SMILESClCCc1ncc2cnccn12
InChIInChI=1S/C8H8ClN3/c9-2-1-8-11-6-7-5-10-3-4-12(7)8/h3-6H,1-2H2
InChIKeyAKQMXGHCYJCFCG-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.51
Rot. Bonds2

About 3-(2-chloroethyl)imidazo[1,5-a]pyrazine

3-(2-chloroethyl)imidazo[1,5-a]pyrazine (PubChem CID 21265874) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 3-(2-chloroethyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(2-chloroethyl)imidazo[1,5-a]pyrazine
PubChem CID21265874
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name3-(2-chloroethyl)imidazo[1,5-a]pyrazine
SMILESClCCc1ncc2cnccn12
InChIInChI=1S/C8H8ClN3/c9-2-1-8-11-6-7-5-10-3-4-12(7)8/h3-6H,1-2H2
InChIKeyAKQMXGHCYJCFCG-UHFFFAOYSA-N
XLogP1.51
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.63
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-(2-chloroethyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 3-(2-chloroethyl)imidazo[1,5-a]pyrazine (CID 21265874) is 3-(2-chloroethyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(2-chloroethyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(2-chloroethyl)imidazo[1,5-a]pyrazine is ClCCc1ncc2cnccn12.
What is the InChIKey of 3-(2-chloroethyl)imidazo[1,5-a]pyrazine?
The InChIKey is AKQMXGHCYJCFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-2-1-8-11-6-7-5-10-3-4-12(7)8/h3-6H,1-2H2.
What are the key properties of 3-(2-chloroethyl)imidazo[1,5-a]pyrazine?
3-(2-chloroethyl)imidazo[1,5-a]pyrazine has a molecular weight of 181.63 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 21265874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).