4-butyl-1,3-dihydropyrazin-2-one

C8H14N2O — CID 54189182

IUPAC4-butyl-1,3-dihydropyrazin-2-one
SMILESCCCCN1C=CNC(=O)C1
InChIInChI=1S/C8H14N2O/c1-2-3-5-10-6-4-9-8(11)7-10/h4,6H,2-3,5,7H2,1H3,(H,9,11)
InChIKeyPHHMJLGZQDNMJA-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.69
Rot. Bonds3

About 4-butyl-1,3-dihydropyrazin-2-one

4-butyl-1,3-dihydropyrazin-2-one (PubChem CID 54189182) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-butyl-1,3-dihydropyrazin-2-one.

Molecular Properties

Compound Name4-butyl-1,3-dihydropyrazin-2-one
PubChem CID54189182
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name4-butyl-1,3-dihydropyrazin-2-one
SMILESCCCCN1C=CNC(=O)C1
InChIInChI=1S/C8H14N2O/c1-2-3-5-10-6-4-9-8(11)7-10/h4,6H,2-3,5,7H2,1H3,(H,9,11)
InChIKeyPHHMJLGZQDNMJA-UHFFFAOYSA-N
XLogP0.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dihydro-1H-pyrazin-4-yl)ethanone
CID 168451761
1-Ethyl-1,4-dihydropyrazine-2,3-dione
CID 13366245
4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 18741245
4-Propan-2-yl-1,2-dihydropyrazin-3-one
CID 58345348
N-ethenyl-2-(ethylamino)acetamide
CID 60085793
4-[(3R)-pyrrolidin-3-yl]-1,3-dihydropyrazin-2-one
CID 89257484
2-[[(Z)-2-[ethenyl(methyl)amino]ethenyl]amino]-1-pyrrolidin-1-ylethanone
CID 89812296
4-[2-Oxo-2-(propylamino)ethyl]pyrazine-1-carboxylic acid
CID 91255251
1-(1H-pyrazin-4-yl)-2-pyrrolidin-1-ylethanone
CID 117654046
2-(ethenylamino)-N-[2-oxo-2-(2-oxopropylamino)ethyl]acetamide
CID 132194537
N-[2-(ethenylamino)-2-oxoethyl]propanamide
CID 134469382
Ethane;4-methyl-1,2-dihydropyrazin-3-one
CID 142943855

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,3-dihydropyrazin-2-one?
The IUPAC name of 4-butyl-1,3-dihydropyrazin-2-one (CID 54189182) is 4-butyl-1,3-dihydropyrazin-2-one.
What is the SMILES notation for 4-butyl-1,3-dihydropyrazin-2-one?
The canonical SMILES for 4-butyl-1,3-dihydropyrazin-2-one is CCCCN1C=CNC(=O)C1.
What is the InChIKey of 4-butyl-1,3-dihydropyrazin-2-one?
The InChIKey is PHHMJLGZQDNMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-2-3-5-10-6-4-9-8(11)7-10/h4,6H,2-3,5,7H2,1H3,(H,9,11).
What are the key properties of 4-butyl-1,3-dihydropyrazin-2-one?
4-butyl-1,3-dihydropyrazin-2-one has a molecular weight of 154.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,3-dihydropyrazin-2-one is sourced from PubChem (CID 54189182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).