1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one

C10H11N3OS — CID 62939218

IUPAC1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCc2cccs2)c1=O
InChIInChI=1S/C10H11N3OS/c1-13-5-4-11-9(10(13)14)12-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyKVGLAJDAJQMZKZ-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.45
Rot. Bonds3

About 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one

1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one (PubChem CID 62939218) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
PubChem CID62939218
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one
SMILESCn1ccnc(NCc2cccs2)c1=O
InChIInChI=1S/C10H11N3OS/c1-13-5-4-11-9(10(13)14)12-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,12)
InChIKeyKVGLAJDAJQMZKZ-UHFFFAOYSA-N
XLogP1.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
1-methyl-3-[(5-methylfuran-2-yl)methylamino]pyrazin-2-one
CID 62940791
1-(3-chloro-4-fluorophenyl)-3-(thiophen-2-ylmethylamino)pyrazin-2-one
CID 20941648
1-propyl-3-(2-thiophen-2-ylethylamino)pyrazin-2-one
CID 62938256
1-methyl-3-(1,3-thiazol-4-ylmethylamino)pyrazin-2-one
CID 63831167
1-methyl-3-(1H-pyrazol-5-ylmethylamino)pyrazin-2-one
CID 62940431
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methylamino]pyrazin-2-one
CID 62938875
N-(1-methylimidazol-2-yl)-2-thiophen-2-ylacetamide
CID 110472554
4-[[(4-methyl-3-oxopyrazin-2-yl)amino]methyl]benzenesulfonamide
CID 62939908
6-N-methyl-8-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyrazine-6,8-diamine
CID 80772084
3-(thiophen-2-ylmethylamino)pyrazine-2-carbonitrile
CID 55133484
3-[(1,3-dimethylpyrazol-4-yl)methylamino]-1-methylpyrazin-2-one
CID 112670534

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one (CID 62939218) is 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one is Cn1ccnc(NCc2cccs2)c1=O.
What is the InChIKey of 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
The InChIKey is KVGLAJDAJQMZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c1-13-5-4-11-9(10(13)14)12-7-8-3-2-6-15-8/h2-6H,7H2,1H3,(H,11,12).
What are the key properties of 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one?
1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one has a molecular weight of 221.29 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(thiophen-2-ylmethylamino)pyrazin-2-one is sourced from PubChem (CID 62939218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).