3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

C10H15N5O3S — CID 30475022

IUPAC3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
SMILESCCCn1c(SCC(=O)N2CCNC2=O)n[nH]c1=O
InChIInChI=1S/C10H15N5O3S/c1-2-4-15-9(18)12-13-10(15)19-6-7(16)14-5-3-11-8(14)17/h2-6H2,1H3,(H,11,17)(H,12,18)
InChIKeyKHFZGKAAPHWAEX-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.37
Rot. Bonds5

About 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one

3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one (PubChem CID 30475022) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
PubChem CID30475022
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC Name3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
SMILESCCCn1c(SCC(=O)N2CCNC2=O)n[nH]c1=O
InChIInChI=1S/C10H15N5O3S/c1-2-4-15-9(18)12-13-10(15)19-6-7(16)14-5-3-11-8(14)17/h2-6H2,1H3,(H,11,17)(H,12,18)
InChIKeyKHFZGKAAPHWAEX-UHFFFAOYSA-N
XLogP-0.37
TPSA100.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one with MolForge

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Related Compounds

3,5-Diethyl-10-thia-1,3,5,7,8-pentazatricyclo[7.3.0.02,6]dodec-8-ene-4,12-dione
CID 162395961
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8460379
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
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3-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 8630528
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 16270065
1-Butyl-3-[(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
CID 136102953
1-butyl-3-[(E)-(4-oxo-1,3-thiazolidin-2-ylidene)amino]urea
CID 173343831
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2576443
2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-propylacetamide
CID 7455573
N-(2-methylpropylcarbamoyl)-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 8012939
(2S)-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8238358
(2R)-N-ethyl-2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 8238361

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one (CID 30475022) is 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one is CCCn1c(SCC(=O)N2CCNC2=O)n[nH]c1=O.
What is the InChIKey of 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
The InChIKey is KHFZGKAAPHWAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-2-4-15-9(18)12-13-10(15)19-6-7(16)14-5-3-11-8(14)17/h2-6H2,1H3,(H,11,17)(H,12,18).
What are the key properties of 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one?
3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one has a molecular weight of 285.33 g/mol, XLogP of -0.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 30475022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).