1-(5-propanoylpyrazin-2-yl)propan-1-one

C10H12N2O2 — CID 546433

IUPAC1-(5-propanoylpyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cnc(C(=O)CC)cn1
InChIInChI=1S/C10H12N2O2/c1-3-9(13)7-5-12-8(6-11-7)10(14)4-2/h5-6H,3-4H2,1-2H3
InChIKeyYLHRZWQJWGUWOH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.66
Rot. Bonds4

About 1-(5-propanoylpyrazin-2-yl)propan-1-one

1-(5-propanoylpyrazin-2-yl)propan-1-one (PubChem CID 546433) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-(5-propanoylpyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5-propanoylpyrazin-2-yl)propan-1-one
PubChem CID546433
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-(5-propanoylpyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cnc(C(=O)CC)cn1
InChIInChI=1S/C10H12N2O2/c1-3-9(13)7-5-12-8(6-11-7)10(14)4-2/h5-6H,3-4H2,1-2H3
InChIKeyYLHRZWQJWGUWOH-UHFFFAOYSA-N
XLogP1.66
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Acetylpyrazine
CID 30914
2-Acetyl-3,5-dimethylpyrazine
CID 104721
2-Acetyl-5-methylpyrazine
CID 30915
1-(6-Methylpyrazin-2-yl)ethan-1-one
CID 527821
2-Acetyl-3,6-dimethylpyrazine
CID 104722
2-Acetyl-5-ethylpyrazine
CID 21186827
1-(5,6-Dimethyl-2-pyrazinyl)ethanone
CID 53423848
3-[2-Hydroxyethyl(methyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231508
3-[Tert-butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231509
N,N-bis(2-hydroxyethyl)aminoethyl-2-pyrazylketone
CID 46231510
3-[Butyl(2-hydroxyethyl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231511
3-[2-Hydroxyethyl(propan-2-yl)amino]-1-pyrazin-2-ylpropan-1-one
CID 46231512

Frequently Asked Questions

What is the IUPAC name of 1-(5-propanoylpyrazin-2-yl)propan-1-one?
The IUPAC name of 1-(5-propanoylpyrazin-2-yl)propan-1-one (CID 546433) is 1-(5-propanoylpyrazin-2-yl)propan-1-one.
What is the SMILES notation for 1-(5-propanoylpyrazin-2-yl)propan-1-one?
The canonical SMILES for 1-(5-propanoylpyrazin-2-yl)propan-1-one is CCC(=O)c1cnc(C(=O)CC)cn1.
What is the InChIKey of 1-(5-propanoylpyrazin-2-yl)propan-1-one?
The InChIKey is YLHRZWQJWGUWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-3-9(13)7-5-12-8(6-11-7)10(14)4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 1-(5-propanoylpyrazin-2-yl)propan-1-one?
1-(5-propanoylpyrazin-2-yl)propan-1-one has a molecular weight of 192.22 g/mol, XLogP of 1.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-propanoylpyrazin-2-yl)propan-1-one is sourced from PubChem (CID 546433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).