1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one

C9H11N5O2 — CID 103744297

IUPAC1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCc2ncno2)c1=O
InChIInChI=1S/C9H11N5O2/c1-14-5-4-11-8(9(14)15)10-3-2-7-12-6-13-16-7/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyWZMZUXALQDYOFZ-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.18
Rot. Bonds4

About 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one

1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one (PubChem CID 103744297) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
PubChem CID103744297
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
SMILESCn1ccnc(NCCc2ncno2)c1=O
InChIInChI=1S/C9H11N5O2/c1-14-5-4-11-8(9(14)15)10-3-2-7-12-6-13-16-7/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyWZMZUXALQDYOFZ-UHFFFAOYSA-N
XLogP-0.18
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one (CID 103744297) is 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one is Cn1ccnc(NCCc2ncno2)c1=O.
What is the InChIKey of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The InChIKey is WZMZUXALQDYOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-14-5-4-11-8(9(14)15)10-3-2-7-12-6-13-16-7/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one has a molecular weight of 221.22 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 103744297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).