3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

C12H19N5O2 — CID 106112141

IUPAC3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H19N5O2/c1-19-10(8-13)12(18)17-6-4-16(5-7-17)11-9-14-2-3-15-11/h2-3,9-10H,4-8,13H2,1H3
InChIKeyBSYBAIGWTOIHHZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.90
Rot. Bonds4

About 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one

3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (PubChem CID 106112141) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
PubChem CID106112141
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
SMILESCOC(CN)C(=O)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C12H19N5O2/c1-19-10(8-13)12(18)17-6-4-16(5-7-17)11-9-14-2-3-15-11/h2-3,9-10H,4-8,13H2,1H3
InChIKeyBSYBAIGWTOIHHZ-UHFFFAOYSA-N
XLogP-0.90
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-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)-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227347
2-(aminomethyl)-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 65227346
(2S)-2-amino-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 79024559
2-amino-3,3-dimethyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 76894907
2-amino-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54872686
2-bromo-3-methyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 54875491
(2R)-2-chloro-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 93378573
(2S)-2-amino-4-methylsulfanyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butan-1-one
CID 61164176
2-pentyl-1-(4-pyrazin-2-ylpiperazin-1-yl)butane-1,3-dione
CID 86053413
1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 60715497
4-amino-5-oxo-5-(4-pyrazin-2-ylpiperazin-1-yl)pentanoic acid
CID 64890679
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one
CID 42024714

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one (CID 106112141) is 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is COC(CN)C(=O)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
The InChIKey is BSYBAIGWTOIHHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-19-10(8-13)12(18)17-6-4-16(5-7-17)11-9-14-2-3-15-11/h2-3,9-10H,4-8,13H2,1H3.
What are the key properties of 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one?
3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one has a molecular weight of 265.32 g/mol, XLogP of -0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-methoxy-1-(4-pyrazin-2-ylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 106112141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).