1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one

C12H19N3O2 — CID 114796570

IUPAC1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
SMILESCCn1ccnc(OCCC2CCNC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-15-7-6-14-11(12(15)16)17-8-4-10-3-5-13-9-10/h6-7,10,13H,2-5,8-9H2,1H3
InChIKeyRMIIKBJVDJRUHN-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.64
Rot. Bonds5

About 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one

1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one (PubChem CID 114796570) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
PubChem CID114796570
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one
SMILESCCn1ccnc(OCCC2CCNC2)c1=O
InChIInChI=1S/C12H19N3O2/c1-2-15-7-6-14-11(12(15)16)17-8-4-10-3-5-13-9-10/h6-7,10,13H,2-5,8-9H2,1H3
InChIKeyRMIIKBJVDJRUHN-UHFFFAOYSA-N
XLogP0.64
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-(2-piperidin-3-ylethoxy)pyrazin-2-one
CID 55156625
1-ethyl-3-piperidin-4-yloxypyrazin-2-one
CID 62929757
5-chloro-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796574
4-(2-pyrrolidin-3-ylethoxy)pyrazolo[1,5-a]pyrazine
CID 114796406
1-(1-ethylimidazol-2-yl)-3-pyrrolidin-3-ylpropan-1-one
CID 116606043
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
5-methoxy-4-(2-pyrrolidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 114796589
3-propoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796587
1-ethyl-3-[ethyl(piperidin-4-ylmethyl)amino]pyrazin-2-one
CID 79719452
3-bromo-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796523
3-chloro-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796420
2-methyl-3-[2-[(3R)-piperidin-3-yl]ethoxy]pyrazine
CID 97163244

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one (CID 114796570) is 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one is CCn1ccnc(OCCC2CCNC2)c1=O.
What is the InChIKey of 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one?
The InChIKey is RMIIKBJVDJRUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-15-7-6-14-11(12(15)16)17-8-4-10-3-5-13-9-10/h6-7,10,13H,2-5,8-9H2,1H3.
What are the key properties of 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one?
1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one has a molecular weight of 237.30 g/mol, XLogP of 0.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-pyrrolidin-3-ylethoxy)pyrazin-2-one is sourced from PubChem (CID 114796570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).