3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one

C10H10N4OS — CID 62939764

IUPAC3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one
SMILESCn1ccnc(Sc2ccncc2N)c1=O
InChIInChI=1S/C10H10N4OS/c1-14-5-4-13-9(10(14)15)16-8-2-3-12-6-7(8)11/h2-6H,11H2,1H3
InChIKeyJXMKQHKACCMUDO-UHFFFAOYSA-N
MW234.28 g/mol
LogP0.91
Rot. Bonds2

About 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one

3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one (PubChem CID 62939764) has the molecular formula C10H10N4OS and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one
PubChem CID62939764
Molecular FormulaC10H10N4OS
Molecular Weight234.28 g/mol
Exact Mass234.06
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one
SMILESCn1ccnc(Sc2ccncc2N)c1=O
InChIInChI=1S/C10H10N4OS/c1-14-5-4-13-9(10(14)15)16-8-2-3-12-6-7(8)11/h2-6H,11H2,1H3
InChIKeyJXMKQHKACCMUDO-UHFFFAOYSA-N
XLogP0.91
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one (CID 62939764) is 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one is Cn1ccnc(Sc2ccncc2N)c1=O.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one?
The InChIKey is JXMKQHKACCMUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4OS/c1-14-5-4-13-9(10(14)15)16-8-2-3-12-6-7(8)11/h2-6H,11H2,1H3.
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one?
3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one has a molecular weight of 234.28 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one is sourced from PubChem (CID 62939764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).