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

C7H12N2O — CID 172631445

IUPAC4-propyl-1,2-dihydropyrazin-3-one
SMILESCCCN1C=CNCC1=O
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-8-6-7(9)10/h3,5,8H,2,4,6H2,1H3
InChIKeyBHUMOZMWLQGDGO-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.30
Rot. Bonds2

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

4-propyl-1,2-dihydropyrazin-3-one (PubChem CID 172631445) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-propyl-1,2-dihydropyrazin-3-one.

Molecular Properties

Compound Name4-propyl-1,2-dihydropyrazin-3-one
PubChem CID172631445
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-propyl-1,2-dihydropyrazin-3-one
SMILESCCCN1C=CNCC1=O
InChIInChI=1S/C7H12N2O/c1-2-4-9-5-3-8-6-7(9)10/h3,5,8H,2,4,6H2,1H3
InChIKeyBHUMOZMWLQGDGO-UHFFFAOYSA-N
XLogP0.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1,2,3,4-tetrahydropyrazine-2,3-dione
CID 13366344
1-(2,3-dihydro-1H-pyrazin-4-yl)ethanone
CID 168451761
1-Ethyl-1,4-dihydropyrazine-2,3-dione
CID 13366245
Methylenmethyldiketopiperazin
CID 129642447
1-(2-Fluoroethyl)-1,4-dihydropyrazine-2,3-dione
CID 121199575
1-Isopropyl-1,4-dihydropyrazine-2,3-dione
CID 13366346
4-(2-oxopropyl)-1H-pyrazine-2,3-dione
CID 18741245
4-ethyl-1-methyl-2H-pyrazin-3-one
CID 20660447
1-Ethenylpiperazin-2-one
CID 21448551
4-Butyl-1,3-dihydropyrazin-2-one
CID 54189182
1-Cyclopropyl-1,2,3,4-tetrahydropyrazine-2,3-dione
CID 54412693
3-mercapto-1-propylpyrazin-2(1H)-one
CID 58111388

Frequently Asked Questions

What is the IUPAC name of 4-propyl-1,2-dihydropyrazin-3-one?
The IUPAC name of 4-propyl-1,2-dihydropyrazin-3-one (CID 172631445) is 4-propyl-1,2-dihydropyrazin-3-one.
What is the SMILES notation for 4-propyl-1,2-dihydropyrazin-3-one?
The canonical SMILES for 4-propyl-1,2-dihydropyrazin-3-one is CCCN1C=CNCC1=O.
What is the InChIKey of 4-propyl-1,2-dihydropyrazin-3-one?
The InChIKey is BHUMOZMWLQGDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-4-9-5-3-8-6-7(9)10/h3,5,8H,2,4,6H2,1H3.
What are the key properties of 4-propyl-1,2-dihydropyrazin-3-one?
4-propyl-1,2-dihydropyrazin-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-1,2-dihydropyrazin-3-one is sourced from PubChem (CID 172631445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).