1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one

C13H22N4O2 — CID 55155648

IUPAC1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC(C)CN2CCOCC2)c1=O
InChIInChI=1S/C13H22N4O2/c1-3-17-5-4-14-12(13(17)18)15-11(2)10-16-6-8-19-9-7-16/h4-5,11H,3,6-10H2,1-2H3,(H,14,15)
InChIKeyDCODQRMNAVIFHB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.40
Rot. Bonds5

About 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one

1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one (PubChem CID 55155648) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one
PubChem CID55155648
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one
SMILESCCn1ccnc(NC(C)CN2CCOCC2)c1=O
InChIInChI=1S/C13H22N4O2/c1-3-17-5-4-14-12(13(17)18)15-11(2)10-16-6-8-19-9-7-16/h4-5,11H,3,6-10H2,1-2H3,(H,14,15)
InChIKeyDCODQRMNAVIFHB-UHFFFAOYSA-N
XLogP0.40
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one (CID 55155648) is 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one is CCn1ccnc(NC(C)CN2CCOCC2)c1=O.
What is the InChIKey of 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one?
The InChIKey is DCODQRMNAVIFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-3-17-5-4-14-12(13(17)18)15-11(2)10-16-6-8-19-9-7-16/h4-5,11H,3,6-10H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one?
1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one has a molecular weight of 266.34 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-morpholin-4-ylpropan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 55155648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).