1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one

C13H21N3OS — CID 113349521

IUPAC1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCCC(SC)C2)c1=O
InChIInChI=1S/C13H21N3OS/c1-3-16-8-7-14-12(13(16)17)15-10-5-4-6-11(9-10)18-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyIGNMLWGAMBANNP-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.35
Rot. Bonds4

About 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one

1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one (PubChem CID 113349521) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
PubChem CID113349521
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
SMILESCCn1ccnc(NC2CCCC(SC)C2)c1=O
InChIInChI=1S/C13H21N3OS/c1-3-16-8-7-14-12(13(16)17)15-10-5-4-6-11(9-10)18-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyIGNMLWGAMBANNP-UHFFFAOYSA-N
XLogP2.35
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-3-[(2-methoxycyclopentyl)amino]pyrazin-2-one
CID 62928461
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
1-ethyl-3-[(2-pentan-3-yloxan-4-yl)amino]pyrazin-2-one
CID 133439346
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
CID 167780781
1-ethyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)pyrazin-2-one
CID 62927230
ethyl 4-[(4-ethyl-3-oxopyrazin-2-yl)amino]piperidine-1-carboxylate
CID 62938971
3-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylamino)-1-ethylpyrazin-2-one
CID 62939189
3-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 133453509
1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
2-cyclohexyl-2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetic acid
CID 62940470
3-[[1-(2,2-diphenylethyl)piperidin-4-yl]amino]-1-ethylpyrazin-2-one
CID 59293572
N-(3-methylsulfanylcyclohexyl)-3-methylsulfonylpyridin-2-amine
CID 106544504

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one (CID 113349521) is 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one is CCn1ccnc(NC2CCCC(SC)C2)c1=O.
What is the InChIKey of 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one?
The InChIKey is IGNMLWGAMBANNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-3-16-8-7-14-12(13(16)17)15-10-5-4-6-11(9-10)18-2/h7-8,10-11H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one?
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one has a molecular weight of 267.40 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one is sourced from PubChem (CID 113349521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).