3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one

C11H13N3OS — CID 103702635

IUPAC3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one
SMILESCCc1ccc(CNc2ncc[nH]c2=O)s1
InChIInChI=1S/C11H13N3OS/c1-2-8-3-4-9(16-8)7-14-10-11(15)13-6-5-12-10/h3-6H,2,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyFDIXOELSECXRFM-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.01
Rot. Bonds4

About 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one

3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one (PubChem CID 103702635) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one
PubChem CID103702635
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one
SMILESCCc1ccc(CNc2ncc[nH]c2=O)s1
InChIInChI=1S/C11H13N3OS/c1-2-8-3-4-9(16-8)7-14-10-11(15)13-6-5-12-10/h3-6H,2,7H2,1H3,(H,12,14)(H,13,15)
InChIKeyFDIXOELSECXRFM-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-ethylthiophen-2-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 106013481
2-[(5-ethylthiophen-2-yl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 114136294
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 115657215
3-(dodecylamino)-1H-pyrazin-2-one
CID 146198869
4-N-[(5-ethylthiophen-2-yl)methyl]-5-methylpyrimidine-4,6-diamine
CID 114137465
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170
3-[2-(dimethylamino)ethylamino]-1H-pyrazin-2-one
CID 115897525
N-[(5-ethylthiophen-2-yl)methyl]pyridin-4-amine
CID 103095282
N-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-amine
CID 104918883
N-[(5-ethylthiophen-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 104840172
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 103858282
3-[3-(dimethylamino)propylamino]-1H-pyrazin-2-one
CID 114568070

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one (CID 103702635) is 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one is CCc1ccc(CNc2ncc[nH]c2=O)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one?
The InChIKey is FDIXOELSECXRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-2-8-3-4-9(16-8)7-14-10-11(15)13-6-5-12-10/h3-6H,2,7H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one?
3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one has a molecular weight of 235.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 103702635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).