1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one

C13H16N4O2 — CID 106898477

IUPAC1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one
SMILESCCc1cnc(CNc2nccn(C3CC3)c2=O)o1
InChIInChI=1S/C13H16N4O2/c1-2-10-7-15-11(19-10)8-16-12-13(18)17(6-5-14-12)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,14,16)
InChIKeyZVAFGTYNKIFCIR-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.74
Rot. Bonds5

About 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one

1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one (PubChem CID 106898477) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one
PubChem CID106898477
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one
SMILESCCc1cnc(CNc2nccn(C3CC3)c2=O)o1
InChIInChI=1S/C13H16N4O2/c1-2-10-7-15-11(19-10)8-16-12-13(18)17(6-5-14-12)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,14,16)
InChIKeyZVAFGTYNKIFCIR-UHFFFAOYSA-N
XLogP1.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one (CID 106898477) is 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one is CCc1cnc(CNc2nccn(C3CC3)c2=O)o1.
What is the InChIKey of 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one?
The InChIKey is ZVAFGTYNKIFCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-10-7-15-11(19-10)8-16-12-13(18)17(6-5-14-12)9-3-4-9/h5-7,9H,2-4,8H2,1H3,(H,14,16).
What are the key properties of 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one?
1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one has a molecular weight of 260.30 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[(5-ethyl-1,3-oxazol-2-yl)methylamino]pyrazin-2-one is sourced from PubChem (CID 106898477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).