(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one

C12H19N5O — CID 79024559

IUPAC(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-10(13)12(18)17-7-5-16(6-8-17)11-9-14-3-4-15-11/h3-4,9-10H,2,5-8,13H2,1H3/t10-/m0/s1
InChIKeyMIBKIRQAVSGQSC-JTQLQIEISA-N
MW249.32 g/mol
LogP-0.14
Rot. Bonds3

About (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one

(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (PubChem CID 79024559) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
PubChem CID79024559
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
SMILESCC[C@H](N)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H19N5O/c1-2-10(13)12(18)17-7-5-16(6-8-17)11-9-14-3-4-15-11/h3-4,9-10H,2,5-8,13H2,1H3/t10-/m0/s1
InChIKeyMIBKIRQAVSGQSC-JTQLQIEISA-N
XLogP-0.14
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(aminomethyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227346
(2S)-2-amino-4-methylsulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 61164176
4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid
CID 64890679
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
2-(aminomethyl)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 106112141
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
2-pentyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 86053413
2-hydroxy-4-methylsulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 86284578

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
The IUPAC name of (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one (CID 79024559) is (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
The canonical SMILES for (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one is CC[C@H](N)C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
The InChIKey is MIBKIRQAVSGQSC-JTQLQIEISA-N. The full InChI is InChI=1S/C12H19N5O/c1-2-10(13)12(18)17-7-5-16(6-8-17)11-9-14-3-4-15-11/h3-4,9-10H,2,5-8,13H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one?
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one has a molecular weight of 249.32 g/mol, XLogP of -0.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one is sourced from PubChem (CID 79024559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).