3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one

C13H24N4O — CID 55154885

IUPAC3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one
SMILESCCN(CC)CC(C)Nc1nccn(CC)c1=O
InChIInChI=1S/C13H24N4O/c1-5-16(6-2)10-11(4)15-12-13(18)17(7-3)9-8-14-12/h8-9,11H,5-7,10H2,1-4H3,(H,14,15)
InChIKeyZECOHNVVAQXXOS-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds7

About 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one

3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one (PubChem CID 55154885) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one
PubChem CID55154885
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one
SMILESCCN(CC)CC(C)Nc1nccn(CC)c1=O
InChIInChI=1S/C13H24N4O/c1-5-16(6-2)10-11(4)15-12-13(18)17(7-3)9-8-14-12/h8-9,11H,5-7,10H2,1-4H3,(H,14,15)
InChIKeyZECOHNVVAQXXOS-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one (CID 55154885) is 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one is CCN(CC)CC(C)Nc1nccn(CC)c1=O.
What is the InChIKey of 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one?
The InChIKey is ZECOHNVVAQXXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-16(6-2)10-11(4)15-12-13(18)17(7-3)9-8-14-12/h8-9,11H,5-7,10H2,1-4H3,(H,14,15).
What are the key properties of 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one?
3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one has a molecular weight of 252.36 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(diethylamino)propan-2-ylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 55154885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).