1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one

C13H24N4O — CID 55154896

IUPAC1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one
SMILESCCN(CCNC(C)C)c1nccn(CC)c1=O
InChIInChI=1S/C13H24N4O/c1-5-16(9-7-14-11(3)4)12-13(18)17(6-2)10-8-15-12/h8,10-11,14H,5-7,9H2,1-4H3
InChIKeyDSWCGYNQQADUJR-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.09
Rot. Bonds7

About 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one

1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one (PubChem CID 55154896) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one
PubChem CID55154896
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one
SMILESCCN(CCNC(C)C)c1nccn(CC)c1=O
InChIInChI=1S/C13H24N4O/c1-5-16(9-7-14-11(3)4)12-13(18)17(6-2)10-8-15-12/h8,10-11,14H,5-7,9H2,1-4H3
InChIKeyDSWCGYNQQADUJR-UHFFFAOYSA-N
XLogP1.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one (CID 55154896) is 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one is CCN(CCNC(C)C)c1nccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one?
The InChIKey is DSWCGYNQQADUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-16(9-7-14-11(3)4)12-13(18)17(6-2)10-8-15-12/h8,10-11,14H,5-7,9H2,1-4H3.
What are the key properties of 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one?
1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[ethyl-[2-(propan-2-ylamino)ethyl]amino]pyrazin-2-one is sourced from PubChem (CID 55154896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).