1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one

C8H13N3O — CID 130571109

IUPAC1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one
SMILESCc1nccn(C[C@H](C)N)c1=O
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-4-3-10-7(2)8(11)12/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1
InChIKeyLLPLHGNKURXWJH-LURJTMIESA-N
MW167.21 g/mol
LogP-0.10
Rot. Bonds2

About 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one

1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one (PubChem CID 130571109) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one.

Molecular Properties

Compound Name1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one
PubChem CID130571109
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one
SMILESCc1nccn(C[C@H](C)N)c1=O
InChIInChI=1S/C8H13N3O/c1-6(9)5-11-4-3-10-7(2)8(11)12/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1
InChIKeyLLPLHGNKURXWJH-LURJTMIESA-N
XLogP-0.10
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methyl-2H-pyrazin-3-yl)ethyl]acetamide
CID 57103626
4-methyl-3-oxo-N-propan-2-ylpyrazine-2-carboxamide
CID 59304307
3,6-Dimethyl-1-[2-(propylamino)ethyl]pyrazin-2-one
CID 143038659
N-ethyl-1,2-dihydropyrazine-3-carboxamide
CID 144248768
1-[6-(2-aminoethenyl)-3,5-dihydro-2H-pyrazin-4-yl]ethanone
CID 147242123
3-methyl-1-[(3R)-piperidin-3-yl]pyrazin-2-one
CID 166162659
1-(2-Aminopropyl)pyrazin-2-one
CID 130538500
1-[(2R)-2-aminopropyl]pyrazin-2-one
CID 130538502
1-(2-Aminobutyl)pyrazin-2-one
CID 130538504
1-(2-Amino-2-cyclopropylethyl)-3-methylpyrazin-2-one
CID 130571112
2-(3-Methyl-2-oxopyrazin-1-yl)ethanethioamide
CID 130571128
3-methyl-1-[[(2S)-pyrrolidin-2-yl]methyl]pyrazin-2-one
CID 130571131

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one?
The IUPAC name of 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one (CID 130571109) is 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one.
What is the SMILES notation for 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one?
The canonical SMILES for 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one is Cc1nccn(C[C@H](C)N)c1=O.
What is the InChIKey of 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one?
The InChIKey is LLPLHGNKURXWJH-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O/c1-6(9)5-11-4-3-10-7(2)8(11)12/h3-4,6H,5,9H2,1-2H3/t6-/m0/s1.
What are the key properties of 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one?
1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-aminopropyl]-3-methylpyrazin-2-one is sourced from PubChem (CID 130571109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).