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

C12H14N4OS — CID 62927812

IUPAC3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Sc2ccncc2N)c1=O
InChIInChI=1S/C12H14N4OS/c1-2-6-16-7-5-15-11(12(16)17)18-10-3-4-14-8-9(10)13/h3-5,7-8H,2,6,13H2,1H3
InChIKeyNPXMVWQFGBCCIL-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.78
Rot. Bonds4

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

3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one (PubChem CID 62927812) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one
PubChem CID62927812
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(Sc2ccncc2N)c1=O
InChIInChI=1S/C12H14N4OS/c1-2-6-16-7-5-15-11(12(16)17)18-10-3-4-14-8-9(10)13/h3-5,7-8H,2,6,13H2,1H3
InChIKeyNPXMVWQFGBCCIL-UHFFFAOYSA-N
XLogP1.78
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(3-amino-4-pyridinyl)sulfanyl]-1-(2-methylpropyl)pyrazin-2-one
CID 55157199
3-[(3-amino-4-pyridinyl)sulfanyl]-1-methylpyrazin-2-one
CID 62939764
3-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]-1-propylpyrazin-2-one
CID 62929034
3-(2-aminophenyl)sulfanyl-1-methylpyrazin-2-one
CID 62939762
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-(3-oxo-4-propylpyrazin-2-yl)oxypyridine-4-carboxylic acid
CID 81443631
methyl 2-[(3-amino-4-pyridinyl)sulfanyl]pyridine-3-carboxylate
CID 62111629
1-pentyl-3-pentylsulfanylpyrazin-2-one
CID 66879347
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
3-(2-hydroxyphenyl)sulfanyl-1-(2-methylpropyl)pyrazin-2-one
CID 62928329
4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 79718644
3-(2-amino-5-methoxyphenoxy)-1-propylpyrazin-2-one
CID 102703068

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one (CID 62927812) is 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one is CCCn1ccnc(Sc2ccncc2N)c1=O.
What is the InChIKey of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one?
The InChIKey is NPXMVWQFGBCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-2-6-16-7-5-15-11(12(16)17)18-10-3-4-14-8-9(10)13/h3-5,7-8H,2,6,13H2,1H3.
What are the key properties of 3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one?
3-[(3-amino-4-pyridinyl)sulfanyl]-1-propylpyrazin-2-one has a molecular weight of 262.34 g/mol, XLogP of 1.78, 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-propylpyrazin-2-one is sourced from PubChem (CID 62927812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).