2-amino-1-pyrazin-2-ylbutan-1-one

C8H11N3O — CID 116584056

IUPAC2-amino-1-pyrazin-2-ylbutan-1-one
SMILESCCC(N)C(=O)c1cnccn1
InChIInChI=1S/C8H11N3O/c1-2-6(9)8(12)7-5-10-3-4-11-7/h3-6H,2,9H2,1H3
InChIKeyMSNFFOLTOZISCS-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.40
Rot. Bonds3

About 2-amino-1-pyrazin-2-ylbutan-1-one

2-amino-1-pyrazin-2-ylbutan-1-one (PubChem CID 116584056) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-amino-1-pyrazin-2-ylbutan-1-one.

Molecular Properties

Compound Name2-amino-1-pyrazin-2-ylbutan-1-one
PubChem CID116584056
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-amino-1-pyrazin-2-ylbutan-1-one
SMILESCCC(N)C(=O)c1cnccn1
InChIInChI=1S/C8H11N3O/c1-2-6(9)8(12)7-5-10-3-4-11-7/h3-6H,2,9H2,1H3
InChIKeyMSNFFOLTOZISCS-UHFFFAOYSA-N
XLogP0.40
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-pyrazin-2-ylpropan-1-one
CID 82594837
2-amino-4-methylsulfonyl-1-pyrazin-2-ylbutan-1-one
CID 116552025
2-amino-1-pyrazin-2-ylpent-4-en-1-one
CID 116606989
2-methyl-1-pyrazin-2-ylpropan-1-one
CID 538058
2-phenyl-1-pyrazin-2-ylbutan-1-one
CID 114973044
ethyl 2-(pyrazine-2-carbonyl)hexanoate
CID 21329208
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
CID 65136340
5-amino-1-pyrazin-2-ylhexan-1-one
CID 116610178
2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
CID 116603866
2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
CID 103447153
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-pyrazin-2-ylbutan-1-one?
The IUPAC name of 2-amino-1-pyrazin-2-ylbutan-1-one (CID 116584056) is 2-amino-1-pyrazin-2-ylbutan-1-one.
What is the SMILES notation for 2-amino-1-pyrazin-2-ylbutan-1-one?
The canonical SMILES for 2-amino-1-pyrazin-2-ylbutan-1-one is CCC(N)C(=O)c1cnccn1.
What is the InChIKey of 2-amino-1-pyrazin-2-ylbutan-1-one?
The InChIKey is MSNFFOLTOZISCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-2-6(9)8(12)7-5-10-3-4-11-7/h3-6H,2,9H2,1H3.
What are the key properties of 2-amino-1-pyrazin-2-ylbutan-1-one?
2-amino-1-pyrazin-2-ylbutan-1-one has a molecular weight of 165.20 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-pyrazin-2-ylbutan-1-one is sourced from PubChem (CID 116584056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).