1-(3-pyridin-2-ylpyrazin-2-yl)ethanone

C11H9N3O — CID 121428199

IUPAC1-(3-pyridin-2-ylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nccnc1-c1ccccn1
InChIInChI=1S/C11H9N3O/c1-8(15)10-11(14-7-6-13-10)9-4-2-3-5-12-9/h2-7H,1H3
InChIKeyMQXKQIVXDZZYKX-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.74
Rot. Bonds2

About 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone

1-(3-pyridin-2-ylpyrazin-2-yl)ethanone (PubChem CID 121428199) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-pyridin-2-ylpyrazin-2-yl)ethanone
PubChem CID121428199
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name1-(3-pyridin-2-ylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nccnc1-c1ccccn1
InChIInChI=1S/C11H9N3O/c1-8(15)10-11(14-7-6-13-10)9-4-2-3-5-12-9/h2-7H,1H3
InChIKeyMQXKQIVXDZZYKX-UHFFFAOYSA-N
XLogP1.74
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-pyridin-2-yl-2H-triazol-4-yl)ethanone
CID 82372895
1-(3-pyrimidin-2-ylpyrazin-2-yl)ethanone
CID 155167120
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
propan-1-ol;1-(2-pyridin-2-yl-3-pyridinyl)ethanone
CID 142200499
2-phenylpyridine;propan-2-one
CID 174845023
5-acetyl-2-pyridin-2-yl-1,3-thiazole-4-carboxylic acid
CID 106696187
1-[4-[3-(4-acetylphenyl)-2-pyridin-2-ylphenyl]phenyl]ethanone
CID 24786462
calcium;3-acetylpentane-2,4-dione;hydride;2-pyridin-2-ylpyridine
CID 173092020
2-methoxy-3-pyridin-2-ylpyrazine
CID 91147636
bis(2-(2-pyridin-2-yl-3-pyridinyl)acetic acid);zinc
CID 166063488
1-(3-iodo-2-pyridinyl)ethanone
CID 69164908
2,3-dipyridin-2-ylpyrazine;bis(2-pyridin-2-ylpyridine);ruthenium(3+);trihexafluorophosphate
CID 139261288

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone?
The IUPAC name of 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone (CID 121428199) is 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone?
The canonical SMILES for 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone is CC(=O)c1nccnc1-c1ccccn1.
What is the InChIKey of 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone?
The InChIKey is MQXKQIVXDZZYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-8(15)10-11(14-7-6-13-10)9-4-2-3-5-12-9/h2-7H,1H3.
What are the key properties of 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone?
1-(3-pyridin-2-ylpyrazin-2-yl)ethanone has a molecular weight of 199.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyridin-2-ylpyrazin-2-yl)ethanone is sourced from PubChem (CID 121428199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).