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

C14H26N4O — CID 62929854

IUPAC3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one
SMILESCCN(CC)CC(C)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-17(7-2)10-12(5)16-13-14(19)18(11(3)4)9-8-15-13/h8-9,11-12H,6-7,10H2,1-5H3,(H,15,16)
InChIKeyUBKKOONTSOLUOC-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.97
Rot. Bonds7

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

3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 62929854) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID62929854
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one
SMILESCCN(CC)CC(C)Nc1nccn(C(C)C)c1=O
InChIInChI=1S/C14H26N4O/c1-6-17(7-2)10-12(5)16-13-14(19)18(11(3)4)9-8-15-13/h8-9,11-12H,6-7,10H2,1-5H3,(H,15,16)
InChIKeyUBKKOONTSOLUOC-UHFFFAOYSA-N
XLogP1.97
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-aminobutan-2-ylamino)-1-propan-2-ylpyrazin-2-one
CID 83178717
1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
CID 114174313
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
1-propan-2-yl-3-(1-pyridin-4-ylethylamino)pyrazin-2-one
CID 62939325
2-ethyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]butanoic acid
CID 79806400
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834
1-ethyl-3-(5-methylhexan-2-ylamino)pyrazin-2-one
CID 63927744
1-[1-(diethylamino)propan-2-yl]-N-ethylimidazol-2-amine
CID 106566350
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676

Frequently Asked Questions

What is the IUPAC name of 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one (CID 62929854) is 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one is CCN(CC)CC(C)Nc1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is UBKKOONTSOLUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-17(7-2)10-12(5)16-13-14(19)18(11(3)4)9-8-15-13/h8-9,11-12H,6-7,10H2,1-5H3,(H,15,16).
What are the key properties of 3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one?
3-[1-(diethylamino)propan-2-ylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 266.39 g/mol, XLogP of 1.97, 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-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62929854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).