3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one

C14H19N3OS — CID 106013481

IUPAC3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCCc1ccc(CNc2nccn(C(C)C)c2=O)s1
InChIInChI=1S/C14H19N3OS/c1-4-11-5-6-12(19-11)9-16-13-14(18)17(10(2)3)8-7-15-13/h5-8,10H,4,9H2,1-3H3,(H,15,16)
InChIKeyVKXMOMIZRCMOSA-UHFFFAOYSA-N
MW277.39 g/mol
LogP3.06
Rot. Bonds5

About 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one

3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one (PubChem CID 106013481) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
PubChem CID106013481
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
SMILESCCc1ccc(CNc2nccn(C(C)C)c2=O)s1
InChIInChI=1S/C14H19N3OS/c1-4-11-5-6-12(19-11)9-16-13-14(18)17(10(2)3)8-7-15-13/h5-8,10H,4,9H2,1-3H3,(H,15,16)
InChIKeyVKXMOMIZRCMOSA-UHFFFAOYSA-N
XLogP3.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propan-2-yl-3-(propylamino)pyrazin-2-one
CID 53015093
3-(ethylamino)-1-propan-2-ylpyrazin-2-one
CID 62938422
3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one
CID 103702635
N-[(5-methylthiophen-2-yl)methyl]-1-propan-2-ylimidazol-2-amine
CID 106569695
3-[(4-nitrophenyl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62940372
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104918883
3-(3-methylpentan-3-ylamino)-1-propan-2-ylpyrazin-2-one
CID 114174313
N-methyl-2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethanesulfonamide
CID 106337676
N-[2-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939676
1-(2-oxopentan-3-yl)-3-(1,3-thiazol-5-ylmethylamino)pyrazin-2-one
CID 22969718
3-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propan-2-ylpyrazin-2-one
CID 106105480
2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114136294

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one (CID 106013481) is 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one is CCc1ccc(CNc2nccn(C(C)C)c2=O)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
The InChIKey is VKXMOMIZRCMOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-4-11-5-6-12(19-11)9-16-13-14(18)17(10(2)3)8-7-15-13/h5-8,10H,4,9H2,1-3H3,(H,15,16).
What are the key properties of 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one?
3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one has a molecular weight of 277.39 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 106013481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).