4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one

C10H15N3O2S — CID 64905894

IUPAC4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(SC2CCC(=O)C2C)n[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-3-13-9(15)11-12-10(13)16-8-5-4-7(14)6(8)2/h6,8H,3-5H2,1-2H3,(H,11,15)
InChIKeyXPFZAKLUIYGDAU-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.05
Rot. Bonds3

About 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one

4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one (PubChem CID 64905894) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
PubChem CID64905894
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
SMILESCCn1c(SC2CCC(=O)C2C)n[nH]c1=O
InChIInChI=1S/C10H15N3O2S/c1-3-13-9(15)11-12-10(13)16-8-5-4-7(14)6(8)2/h6,8H,3-5H2,1-2H3,(H,11,15)
InChIKeyXPFZAKLUIYGDAU-UHFFFAOYSA-N
XLogP1.05
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-3-(2-hydroxycyclohexyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 60715034
3-(2-amino-5-methylcyclohexyl)sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 64632361
4-ethyl-3-(3-methylcyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 126798499
4-ethyl-3-[2-(methylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64633343
4-ethyl-3-piperidin-4-ylsulfanyl-1H-1,2,4-triazol-5-one
CID 62884499
3-[3,3-dimethyl-2-(methylamino)cyclopentyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 79862770
3-[(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-6-yl)sulfanyl]-4-ethyl-1H-1,2,4-triazol-5-one
CID 64633143
2-[(4-ethyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-4-propylcyclohexane-1-carbonitrile
CID 62884797
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]cyclobutane-1-carboxylic acid
CID 80996047
4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64722473
3-[(1R,2S)-2-hydroxycyclopentyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 94865656
3-[2,4-dimethyl-6-(propylamino)cyclohexyl]sulfanyl-4-ethyl-1H-1,2,4-triazol-5-one
CID 64737548

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one (CID 64905894) is 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one is CCn1c(SC2CCC(=O)C2C)n[nH]c1=O.
What is the InChIKey of 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one?
The InChIKey is XPFZAKLUIYGDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-3-13-9(15)11-12-10(13)16-8-5-4-7(14)6(8)2/h6,8H,3-5H2,1-2H3,(H,11,15).
What are the key properties of 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one?
4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one has a molecular weight of 241.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(2-methyl-3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 64905894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).