6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine

C8H9ClN4O2 — CID 146198872

IUPAC6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCCCCOc1nc2nonc2nc1Cl
InChIInChI=1S/C8H9ClN4O2/c1-2-3-4-14-8-5(9)10-6-7(11-8)13-15-12-6/h2-4H2,1H3
InChIKeyGESWPXVFJWOVQK-UHFFFAOYSA-N
MW228.64 g/mol
LogP1.85
Rot. Bonds4

About 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine

6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 146198872) has the molecular formula C8H9ClN4O2 and a molecular weight of 228.64 g/mol. Its IUPAC name is 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID146198872
Molecular FormulaC8H9ClN4O2
Molecular Weight228.64 g/mol
Exact Mass228.04
IUPAC Name6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCCCCOc1nc2nonc2nc1Cl
InChIInChI=1S/C8H9ClN4O2/c1-2-3-4-14-8-5(9)10-6-7(11-8)13-15-12-6/h2-4H2,1H3
InChIKeyGESWPXVFJWOVQK-UHFFFAOYSA-N
XLogP1.85
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.64
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine 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 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 146198872) is 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine is CCCCOc1nc2nonc2nc1Cl.
What is the InChIKey of 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is GESWPXVFJWOVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN4O2/c1-2-3-4-14-8-5(9)10-6-7(11-8)13-15-12-6/h2-4H2,1H3.
What are the key properties of 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine?
6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 228.64 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 146198872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).