3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one

C13H17N3O2S — CID 106435749

IUPAC3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(O)c2ccsc2)c1=O
InChIInChI=1S/C13H17N3O2S/c1-2-5-16-6-4-14-12(13(16)18)15-8-11(17)10-3-7-19-9-10/h3-4,6-7,9,11,17H,2,5,8H2,1H3,(H,14,15)
InChIKeyWPDNUGUMESMERA-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.86
Rot. Bonds6

About 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one

3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one (PubChem CID 106435749) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
PubChem CID106435749
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NCC(O)c2ccsc2)c1=O
InChIInChI=1S/C13H17N3O2S/c1-2-5-16-6-4-14-12(13(16)18)15-8-11(17)10-3-7-19-9-10/h3-4,6-7,9,11,17H,2,5,8H2,1H3,(H,14,15)
InChIKeyWPDNUGUMESMERA-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-hydroxy-2-phenylethyl)amino]-1-propylpyrazin-2-one
CID 62940894
3-[[2-(4-aminophenyl)-2-hydroxyethyl]amino]-1-propylpyrazin-2-one
CID 62929894
2-[(1-ethylimidazol-2-yl)amino]-1-thiophen-3-ylethanol
CID 106435664
1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
CID 55154883
3-methyl-2-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]butanoic acid
CID 65226703
1-thiophen-3-yl-2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethanol
CID 103710821
4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one
CID 106435813
2-[(3-methoxy-2-pyridinyl)amino]-1-thiophen-3-ylethanol
CID 106435613
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
1-propyl-3-(2-thiophen-2-ylethylamino)pyrazin-2-one
CID 62938256
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one (CID 106435749) is 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NCC(O)c2ccsc2)c1=O.
What is the InChIKey of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one?
The InChIKey is WPDNUGUMESMERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-5-16-6-4-14-12(13(16)18)15-8-11(17)10-3-7-19-9-10/h3-4,6-7,9,11,17H,2,5,8H2,1H3,(H,14,15).
What are the key properties of 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one?
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one has a molecular weight of 279.36 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one is sourced from PubChem (CID 106435749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).