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

C12H17N5O2 — CID 103888931

IUPAC1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2ncno2)c1=O
InChIInChI=1S/C12H17N5O2/c1-9(2)7-17-6-5-14-11(12(17)18)13-4-3-10-15-8-16-19-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyOMHDKCAHURZOIC-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.94
Rot. Bonds6

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

1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one (PubChem CID 103888931) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
PubChem CID103888931
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2ncno2)c1=O
InChIInChI=1S/C12H17N5O2/c1-9(2)7-17-6-5-14-11(12(17)18)13-4-3-10-15-8-16-19-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14)
InChIKeyOMHDKCAHURZOIC-UHFFFAOYSA-N
XLogP0.94
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one (CID 103888931) is 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one is CC(C)Cn1ccnc(NCCc2ncno2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
The InChIKey is OMHDKCAHURZOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-9(2)7-17-6-5-14-11(12(17)18)13-4-3-10-15-8-16-19-10/h5-6,8-9H,3-4,7H2,1-2H3,(H,13,14).
What are the key properties of 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one?
1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one has a molecular weight of 263.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 103888931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).