1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one

C11H17N3O2 — CID 94897247

IUPAC1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one
SMILESCCn1ccnc(NC[C@@H]2CCCO2)c1=O
InChIInChI=1S/C11H17N3O2/c1-2-14-6-5-12-10(11(14)15)13-8-9-4-3-7-16-9/h5-6,9H,2-4,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyCRMZYJSWQICWRR-VIFPVBQESA-N
MW223.28 g/mol
LogP0.85
Rot. Bonds4

About 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one

1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one (PubChem CID 94897247) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one
PubChem CID94897247
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one
SMILESCCn1ccnc(NC[C@@H]2CCCO2)c1=O
InChIInChI=1S/C11H17N3O2/c1-2-14-6-5-12-10(11(14)15)13-8-9-4-3-7-16-9/h5-6,9H,2-4,7-8H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyCRMZYJSWQICWRR-VIFPVBQESA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one (CID 94897247) is 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one is CCn1ccnc(NC[C@@H]2CCCO2)c1=O.
What is the InChIKey of 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one?
The InChIKey is CRMZYJSWQICWRR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14-6-5-12-10(11(14)15)13-8-9-4-3-7-16-9/h5-6,9H,2-4,7-8H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one?
1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one has a molecular weight of 223.28 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[(2S)-oxolan-2-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 94897247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).