3,6-diethyl-1H-pyrazin-2-one

C8H12N2O — CID 12566000

IUPAC3,6-diethyl-1H-pyrazin-2-one
SMILESCCc1cnc(CC)c(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-3-6-5-9-7(4-2)8(11)10-6/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyKVNRXBMMXZZBKS-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.89
Rot. Bonds2

About 3,6-diethyl-1H-pyrazin-2-one

3,6-diethyl-1H-pyrazin-2-one (PubChem CID 12566000) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 3,6-diethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,6-diethyl-1H-pyrazin-2-one
PubChem CID12566000
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name3,6-diethyl-1H-pyrazin-2-one
SMILESCCc1cnc(CC)c(=O)[nH]1
InChIInChI=1S/C8H12N2O/c1-3-6-5-9-7(4-2)8(11)10-6/h5H,3-4H2,1-2H3,(H,10,11)
InChIKeyKVNRXBMMXZZBKS-UHFFFAOYSA-N
XLogP0.89
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-Bis(2-methylpropyl)-2(1H)-pyrazinone
CID 278143
3,6-Dimethylpyrazin-2-ol
CID 12565999
6-(Butan-2-yl)-3-(2-methylpropyl)pyrazin-2(1h)-one
CID 278142
Argvalin
CID 99359
Leuvalin
CID 121434429
3,6-Bis(1-methylpropyl)-2(1H)-pyrazinone
CID 10171340
Deoxymutaaspergillic acid
CID 10285858
Deoxyaspergillic acid
CID 11805923
Paenibacillin A
CID 139584712
(S)-3-(sec-butyl)-6-isopropylpyrazin-2(1H)-one
CID 132278707
(S)-6-(sec-butyl)-3-isopropylpyrazin-2(1H)-one
CID 132278970
3,6-Di(propan-2-yl)pyrazin-2(1H)-one
CID 12957655

Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-1H-pyrazin-2-one?
The IUPAC name of 3,6-diethyl-1H-pyrazin-2-one (CID 12566000) is 3,6-diethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3,6-diethyl-1H-pyrazin-2-one?
The canonical SMILES for 3,6-diethyl-1H-pyrazin-2-one is CCc1cnc(CC)c(=O)[nH]1.
What is the InChIKey of 3,6-diethyl-1H-pyrazin-2-one?
The InChIKey is KVNRXBMMXZZBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-6-5-9-7(4-2)8(11)10-6/h5H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3,6-diethyl-1H-pyrazin-2-one?
3,6-diethyl-1H-pyrazin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-1H-pyrazin-2-one is sourced from PubChem (CID 12566000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).