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

C5H3ClN4O2 — CID 146200467

IUPAC5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCOc1nc2nonc2nc1Cl
InChIInChI=1S/C5H3ClN4O2/c1-11-5-2(6)7-3-4(8-5)10-12-9-3/h1H3
InChIKeyCEKZOAUFRYFKJF-UHFFFAOYSA-N
MW186.56 g/mol
LogP0.67
Rot. Bonds1

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

5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine (PubChem CID 146200467) has the molecular formula C5H3ClN4O2 and a molecular weight of 186.56 g/mol. Its IUPAC name is 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine.

Molecular Properties

Compound Name5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
PubChem CID146200467
Molecular FormulaC5H3ClN4O2
Molecular Weight186.56 g/mol
Exact Mass185.99
IUPAC Name5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
SMILESCOc1nc2nonc2nc1Cl
InChIInChI=1S/C5H3ClN4O2/c1-11-5-2(6)7-3-4(8-5)10-12-9-3/h1H3
InChIKeyCEKZOAUFRYFKJF-UHFFFAOYSA-N
XLogP0.67
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.56
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-Dimethoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 2044723
5-Chloro-6-(2-fluoro-2,2-dinitroethoxy)-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 156773088
5-Methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
CID 1384053
6-Butoxy-5-chloro-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 146198872
5-Chloro-6-propan-2-yloxy-[1,2,5]oxadiazolo[3,4-b]pyrazine
CID 146198908
5-Methoxy-6-nitro-3-oxido-[1,2,5]oxadiazolo[3,4-b]pyrazin-3-ium
CID 11390229

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The IUPAC name of 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine (CID 146200467) is 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine.
What is the SMILES notation for 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The canonical SMILES for 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine is COc1nc2nonc2nc1Cl.
What is the InChIKey of 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
The InChIKey is CEKZOAUFRYFKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3ClN4O2/c1-11-5-2(6)7-3-4(8-5)10-12-9-3/h1H3.
What are the key properties of 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine?
5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine has a molecular weight of 186.56 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazine is sourced from PubChem (CID 146200467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).