5-ethyl-3,6-dimethyl-1H-pyrazin-2-one

C8H12N2O — CID 15768472

IUPAC5-ethyl-3,6-dimethyl-1H-pyrazin-2-one
SMILESCCc1nc(C)c(=O)[nH]c1C
InChIInChI=1S/C8H12N2O/c1-4-7-5(2)10-8(11)6(3)9-7/h4H2,1-3H3,(H,10,11)
InChIKeyRSYGJEQPLQQHBH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.95
Rot. Bonds1

About 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one

5-ethyl-3,6-dimethyl-1H-pyrazin-2-one (PubChem CID 15768472) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5-ethyl-3,6-dimethyl-1H-pyrazin-2-one
PubChem CID15768472
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-ethyl-3,6-dimethyl-1H-pyrazin-2-one
SMILESCCc1nc(C)c(=O)[nH]c1C
InChIInChI=1S/C8H12N2O/c1-4-7-5(2)10-8(11)6(3)9-7/h4H2,1-3H3,(H,10,11)
InChIKeyRSYGJEQPLQQHBH-UHFFFAOYSA-N
XLogP0.95
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 820223
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CID 14328307
6-Ethyl-3,5-dimethylpyrazin-2(1H)-one
CID 12447007
3,6-dimethyl-5-propan-2-yl-1H-pyrazin-2-one
CID 122543539
6-butyl-3,5-dimethyl-1H-pyrazin-2-one
CID 134987082
5,6-Diethyl-3-methyl-2(1H)-pyrazinone
CID 15768473
3,6-dimethyl-5-propyl-2(1H)-pyrazinone
CID 21844033
3,5-dimethyl-6-propyl-2(1H)-pyrazinone
CID 21844035
3,5-Dimethyl-6-(2-methylpropyl)pyrazin-2(1H)-one
CID 10397401
5-ethyl-3-methyl-6-octyl-1H-pyrazin-2-one
CID 134987037
6-Ethyl-3-hydroxy-5-methylpyrazine-2-carboxamide
CID 11423935
5-Ethyl-3-hydroxy-6-methylpyrazine-2-carboxamide
CID 11423936

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one (CID 15768472) is 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one is CCc1nc(C)c(=O)[nH]c1C.
What is the InChIKey of 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is RSYGJEQPLQQHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-4-7-5(2)10-8(11)6(3)9-7/h4H2,1-3H3,(H,10,11).
What are the key properties of 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one?
5-ethyl-3,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 15768472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).