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

C8H8ClN3 — CID 57062903

IUPAC1-(2-chloroethyl)imidazo[1,5-a]pyrazine
SMILESClCCc1ncn2ccncc12
InChIInChI=1S/C8H8ClN3/c9-2-1-7-8-5-10-3-4-12(8)6-11-7/h3-6H,1-2H2
InChIKeyPCOXQXRVPRPWGY-UHFFFAOYSA-N
MW181.63 g/mol
LogP1.51
Rot. Bonds2

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

1-(2-chloroethyl)imidazo[1,5-a]pyrazine (PubChem CID 57062903) has the molecular formula C8H8ClN3 and a molecular weight of 181.63 g/mol. Its IUPAC name is 1-(2-chloroethyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name1-(2-chloroethyl)imidazo[1,5-a]pyrazine
PubChem CID57062903
Molecular FormulaC8H8ClN3
Molecular Weight181.63 g/mol
Exact Mass181.04
IUPAC Name1-(2-chloroethyl)imidazo[1,5-a]pyrazine
SMILESClCCc1ncn2ccncc12
InChIInChI=1S/C8H8ClN3/c9-2-1-7-8-5-10-3-4-12(8)6-11-7/h3-6H,1-2H2
InChIKeyPCOXQXRVPRPWGY-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 1-(2-chloroethyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 1-(2-chloroethyl)imidazo[1,5-a]pyrazine (CID 57062903) is 1-(2-chloroethyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 1-(2-chloroethyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 1-(2-chloroethyl)imidazo[1,5-a]pyrazine is ClCCc1ncn2ccncc12.
What is the InChIKey of 1-(2-chloroethyl)imidazo[1,5-a]pyrazine?
The InChIKey is PCOXQXRVPRPWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3/c9-2-1-7-8-5-10-3-4-12(8)6-11-7/h3-6H,1-2H2.
What are the key properties of 1-(2-chloroethyl)imidazo[1,5-a]pyrazine?
1-(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 1-(2-chloroethyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 57062903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).