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

C11H13N5O2 — CID 103931041

IUPAC1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCc2ncno2)nccn1C1CC1
InChIInChI=1S/C11H13N5O2/c17-11-10(12-4-3-9-14-7-15-18-9)13-5-6-16(11)8-1-2-8/h5-8H,1-4H2,(H,12,13)
InChIKeyYMEVXPVIIWXART-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.62
Rot. Bonds5

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

1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one (PubChem CID 103931041) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
PubChem CID103931041
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
SMILESO=c1c(NCCc2ncno2)nccn1C1CC1
InChIInChI=1S/C11H13N5O2/c17-11-10(12-4-3-9-14-7-15-18-9)13-5-6-16(11)8-1-2-8/h5-8H,1-4H2,(H,12,13)
InChIKeyYMEVXPVIIWXART-UHFFFAOYSA-N
XLogP0.62
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one (CID 103931041) is 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one is O=c1c(NCCc2ncno2)nccn1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The InChIKey is YMEVXPVIIWXART-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c17-11-10(12-4-3-9-14-7-15-18-9)13-5-6-16(11)8-1-2-8/h5-8H,1-4H2,(H,12,13).
What are the key properties of 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one has a molecular weight of 247.26 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 103931041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).