3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one

C15H25N3OS — CID 103888844

IUPAC3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCCSC1CCC(Nc2nccn(CC(C)C)c2=O)C1
InChIInChI=1S/C15H25N3OS/c1-4-20-13-6-5-12(9-13)17-14-15(19)18(8-7-16-14)10-11(2)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyPRFUNQMNMRKIGJ-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.99
Rot. Bonds6

About 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one

3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 103888844) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID103888844
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCCSC1CCC(Nc2nccn(CC(C)C)c2=O)C1
InChIInChI=1S/C15H25N3OS/c1-4-20-13-6-5-12(9-13)17-14-15(19)18(8-7-16-14)10-11(2)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,16,17)
InChIKeyPRFUNQMNMRKIGJ-UHFFFAOYSA-N
XLogP2.99
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
CID 55157186
3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 133473466
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62927609
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
1-ethyl-3-[(3-methylsulfanylcyclohexyl)amino]pyrazin-2-one
CID 113349521
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
N-(3-ethylsulfanylcyclopentyl)-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 113245596
3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63258805
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 103888844) is 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one is CCSC1CCC(Nc2nccn(CC(C)C)c2=O)C1.
What is the InChIKey of 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is PRFUNQMNMRKIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-4-20-13-6-5-12(9-13)17-14-15(19)18(8-7-16-14)10-11(2)3/h7-8,11-13H,4-6,9-10H2,1-3H3,(H,16,17).
What are the key properties of 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 295.45 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 103888844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).