1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one

C12H15N3OS — CID 62938696

IUPAC1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
SMILESCC(Cc1ccsc1)Nc1nccn(C)c1=O
InChIInChI=1S/C12H15N3OS/c1-9(7-10-3-6-17-8-10)14-11-12(16)15(2)5-4-13-11/h3-6,8-9H,7H2,1-2H3,(H,13,14)
InChIKeyDMHZVYDDFJXJLG-UHFFFAOYSA-N
MW249.34 g/mol
LogP1.88
Rot. Bonds4

About 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one

1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one (PubChem CID 62938696) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
PubChem CID62938696
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one
SMILESCC(Cc1ccsc1)Nc1nccn(C)c1=O
InChIInChI=1S/C12H15N3OS/c1-9(7-10-3-6-17-8-10)14-11-12(16)15(2)5-4-13-11/h3-6,8-9H,7H2,1-2H3,(H,13,14)
InChIKeyDMHZVYDDFJXJLG-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1-methylimidazol-2-yl)-N-(1-thiophen-3-ylpropan-2-yl)pyridazin-3-amine
CID 56756516
3-(4-hydroxybutan-2-ylamino)-1-methylpyrazin-2-one
CID 79033342
1-prop-2-enyl-N-(1-thiophen-3-ylpropan-2-yl)imidazol-2-amine
CID 106567886
1-methyl-3-(1-methylsulfonylpropan-2-ylamino)pyrazin-2-one
CID 64642834
3-amino-2-(1-thiophen-3-ylpropan-2-ylamino)pyridine-4-carbonitrile
CID 82817299
1-methyl-3-(4-methylsulfinylbutan-2-ylamino)pyrazin-2-one
CID 115689371
4-[(1-methylimidazol-2-yl)methoxy]-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 55975100
7-methoxy-N-(1-thiophen-3-ylpropan-2-yl)isoquinolin-1-amine
CID 106538064
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-methylpyrazin-2-one
CID 79247191
3-[(1-hydroxy-3-phenylpropan-2-yl)amino]-1-methylpyrazin-2-one
CID 63260482
4-chloro-2-propyl-5-(1-thiophen-3-ylpropan-2-ylamino)pyridazin-3-one
CID 114435566
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one (CID 62938696) is 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one is CC(Cc1ccsc1)Nc1nccn(C)c1=O.
What is the InChIKey of 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one?
The InChIKey is DMHZVYDDFJXJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-9(7-10-3-6-17-8-10)14-11-12(16)15(2)5-4-13-11/h3-6,8-9H,7H2,1-2H3,(H,13,14).
What are the key properties of 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one?
1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one has a molecular weight of 249.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1-thiophen-3-ylpropan-2-ylamino)pyrazin-2-one is sourced from PubChem (CID 62938696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).