5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

C5H5N5O2 — CID 1384053

IUPAC5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1nc2nonc2nc1N
InChIInChI=1S/C5H5N5O2/c1-11-5-2(6)7-3-4(8-5)10-12-9-3/h1H3,(H2,6,7,9)
InChIKeyHRAFWRRZPYTPED-UHFFFAOYSA-N
MW167.13 g/mol
LogP-0.40
Rot. Bonds1

About 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine

5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (PubChem CID 1384053) has the molecular formula C5H5N5O2 and a molecular weight of 167.13 g/mol. Its IUPAC name is 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.

Molecular Properties

Compound Name5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
PubChem CID1384053
Molecular FormulaC5H5N5O2
Molecular Weight167.13 g/mol
Exact Mass167.04
IUPAC Name5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine
SMILESCOc1nc2nonc2nc1N
InChIInChI=1S/C5H5N5O2/c1-11-5-2(6)7-3-4(8-5)10-12-9-3/h1H3,(H2,6,7,9)
InChIKeyHRAFWRRZPYTPED-UHFFFAOYSA-N
XLogP-0.40
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The IUPAC name of 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine (CID 1384053) is 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine.
What is the SMILES notation for 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The canonical SMILES for 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is COc1nc2nonc2nc1N.
What is the InChIKey of 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
The InChIKey is HRAFWRRZPYTPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5O2/c1-11-5-2(6)7-3-4(8-5)10-12-9-3/h1H3,(H2,6,7,9).
What are the key properties of 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine?
5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine has a molecular weight of 167.13 g/mol, XLogP of -0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-amine is sourced from PubChem (CID 1384053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).