6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

C5H6N4O2 — CID 43839768

IUPAC6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCc1nc2c([nH]c1=O)NON2
InChIInChI=1S/C5H6N4O2/c1-2-5(10)7-4-3(6-2)8-11-9-4/h1H3,(H,6,8)(H2,7,9,10)
InChIKeyFMFBGWPXRRFPFJ-UHFFFAOYSA-N
MW154.13 g/mol
LogP-0.24
Rot. Bonds

About 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one

6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (PubChem CID 43839768) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.

Molecular Properties

Compound Name6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
PubChem CID43839768
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one
SMILESCc1nc2c([nH]c1=O)NON2
InChIInChI=1S/C5H6N4O2/c1-2-5(10)7-4-3(6-2)8-11-9-4/h1H3,(H,6,8)(H2,7,9,10)
InChIKeyFMFBGWPXRRFPFJ-UHFFFAOYSA-N
XLogP-0.24
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The IUPAC name of 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one (CID 43839768) is 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one.
What is the SMILES notation for 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The canonical SMILES for 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is Cc1nc2c([nH]c1=O)NON2.
What is the InChIKey of 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
The InChIKey is FMFBGWPXRRFPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c1-2-5(10)7-4-3(6-2)8-11-9-4/h1H3,(H,6,8)(H2,7,9,10).
What are the key properties of 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one?
6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one has a molecular weight of 154.13 g/mol, XLogP of -0.24, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,4-dihydro-1H-[1,2,5]oxadiazolo[3,4-b]pyrazin-5-one is sourced from PubChem (CID 43839768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).