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

C13H16N4OS — CID 55157199

IUPAC3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(Sc2ccncc2N)c1=O
InChIInChI=1S/C13H16N4OS/c1-9(2)8-17-6-5-16-12(13(17)18)19-11-3-4-15-7-10(11)14/h3-7,9H,8,14H2,1-2H3
InChIKeyHUNWHLKAYOXGJE-UHFFFAOYSA-N
MW276.37 g/mol
LogP2.03
Rot. Bonds4

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

3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55157199) has the molecular formula C13H16N4OS and a molecular weight of 276.37 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55157199
Molecular FormulaC13H16N4OS
Molecular Weight276.37 g/mol
Exact Mass276.10
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(Sc2ccncc2N)c1=O
InChIInChI=1S/C13H16N4OS/c1-9(2)8-17-6-5-16-12(13(17)18)19-11-3-4-15-7-10(11)14/h3-7,9H,8,14H2,1-2H3
InChIKeyHUNWHLKAYOXGJE-UHFFFAOYSA-N
XLogP2.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.37
LogP ≤ 52.03
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-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one (CID 55157199) is 3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(Sc2ccncc2N)c1=O.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is HUNWHLKAYOXGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4OS/c1-9(2)8-17-6-5-16-12(13(17)18)19-11-3-4-15-7-10(11)14/h3-7,9H,8,14H2,1-2H3.
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one?
3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 276.37 g/mol, XLogP of 2.03, 4 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-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55157199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).