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

C8H9N5O2 — CID 103744350

IUPAC3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCc1ncno1
InChIInChI=1S/C8H9N5O2/c14-8-7(10-3-4-11-8)9-2-1-6-12-5-13-15-6/h3-5H,1-2H2,(H,9,10)(H,11,14)
InChIKeyQCPLTURDVNLVHH-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.19
Rot. Bonds4

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

3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one (PubChem CID 103744350) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one
PubChem CID103744350
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1NCCc1ncno1
InChIInChI=1S/C8H9N5O2/c14-8-7(10-3-4-11-8)9-2-1-6-12-5-13-15-6/h3-5H,1-2H2,(H,9,10)(H,11,14)
InChIKeyQCPLTURDVNLVHH-UHFFFAOYSA-N
XLogP-0.19
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one (CID 103744350) is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one is O=c1[nH]ccnc1NCCc1ncno1.
What is the InChIKey of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one?
The InChIKey is QCPLTURDVNLVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c14-8-7(10-3-4-11-8)9-2-1-6-12-5-13-15-6/h3-5H,1-2H2,(H,9,10)(H,11,14).
What are the key properties of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one?
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one has a molecular weight of 207.19 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 103744350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).