1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one

C15H21N3OS — CID 62940745

IUPAC1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one
SMILESCc1ccc(C(C)Nc2nccn(CC(C)C)c2=O)s1
InChIInChI=1S/C15H21N3OS/c1-10(2)9-18-8-7-16-14(15(18)19)17-12(4)13-6-5-11(3)20-13/h5-8,10,12H,9H2,1-4H3,(H,16,17)
InChIKeyAFVKFPFJGCZVBS-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.44
Rot. Bonds5

About 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one

1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one (PubChem CID 62940745) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one
PubChem CID62940745
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one
SMILESCc1ccc(C(C)Nc2nccn(CC(C)C)c2=O)s1
InChIInChI=1S/C15H21N3OS/c1-10(2)9-18-8-7-16-14(15(18)19)17-12(4)13-6-5-11(3)20-13/h5-8,10,12H,9H2,1-4H3,(H,16,17)
InChIKeyAFVKFPFJGCZVBS-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one (CID 62940745) is 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one is Cc1ccc(C(C)Nc2nccn(CC(C)C)c2=O)s1.
What is the InChIKey of 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one?
The InChIKey is AFVKFPFJGCZVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-10(2)9-18-8-7-16-14(15(18)19)17-12(4)13-6-5-11(3)20-13/h5-8,10,12H,9H2,1-4H3,(H,16,17).
What are the key properties of 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one?
1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one has a molecular weight of 291.42 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[1-(5-methylthiophen-2-yl)ethylamino]pyrazin-2-one is sourced from PubChem (CID 62940745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).