1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one

C13H17N3OS — CID 55154883

IUPAC1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCCc2ccsc2)c1=O
InChIInChI=1S/C13H17N3OS/c1-2-7-16-8-6-15-12(13(16)17)14-5-3-11-4-9-18-10-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyBSHJVMZETPABGB-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.37
Rot. Bonds6

About 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one

1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one (PubChem CID 55154883) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
PubChem CID55154883
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one
SMILESCCCn1ccnc(NCCc2ccsc2)c1=O
InChIInChI=1S/C13H17N3OS/c1-2-7-16-8-6-15-12(13(16)17)14-5-3-11-4-9-18-10-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyBSHJVMZETPABGB-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propyl-3-(2-thiophen-2-ylethylamino)pyrazin-2-one
CID 62938256
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749
N-ethyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567554
N-methyl-1-(2-thiophen-3-ylethyl)imidazol-2-amine
CID 106567511
3-(5-chloropentylamino)-1-propylpyrazin-2-one
CID 107320514
2-methyl-4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanoic acid
CID 80539578
3-[[4-(aminomethyl)phenyl]methylamino]-1-propylpyrazin-2-one
CID 62940846
4-[(3-oxo-4-propylpyrazin-2-yl)amino]butanamide
CID 62940196
3-(4-chloropentylamino)-1-propylpyrazin-2-one
CID 106124558
3-[(3-oxo-4-propylpyrazin-2-yl)amino]propane-1-sulfonamide
CID 55157567
1-propyl-3-(pyridin-3-ylmethylamino)pyrazin-2-one
CID 55155833
4-[[(3-oxo-4-propylpyrazin-2-yl)amino]methyl]-3H-1,3-thiazol-2-one
CID 114181572

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one?
The IUPAC name of 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one (CID 55154883) is 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one?
The canonical SMILES for 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one is CCCn1ccnc(NCCc2ccsc2)c1=O.
What is the InChIKey of 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one?
The InChIKey is BSHJVMZETPABGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-2-7-16-8-6-15-12(13(16)17)14-5-3-11-4-9-18-10-11/h4,6,8-10H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one?
1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one has a molecular weight of 263.37 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-thiophen-3-ylethylamino)pyrazin-2-one is sourced from PubChem (CID 55154883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).