4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one

C11H20N4OS — CID 64722473

IUPAC4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
SMILESCCNC1CCC(Sc2n[nH]c(=O)n2CC)C1
InChIInChI=1S/C11H20N4OS/c1-3-12-8-5-6-9(7-8)17-11-14-13-10(16)15(11)4-2/h8-9,12H,3-7H2,1-2H3,(H,13,16)
InChIKeyIRYBWYMEFBMNBZ-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.21
Rot. Bonds5

About 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one

4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one (PubChem CID 64722473) has the molecular formula C11H20N4OS and a molecular weight of 256.37 g/mol. Its IUPAC name is 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
PubChem CID64722473
Molecular FormulaC11H20N4OS
Molecular Weight256.37 g/mol
Exact Mass256.14
IUPAC Name4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
SMILESCCNC1CCC(Sc2n[nH]c(=O)n2CC)C1
InChIInChI=1S/C11H20N4OS/c1-3-12-8-5-6-9(7-8)17-11-14-13-10(16)15(11)4-2/h8-9,12H,3-7H2,1-2H3,(H,13,16)
InChIKeyIRYBWYMEFBMNBZ-UHFFFAOYSA-N
XLogP1.21
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one (CID 64722473) is 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one is CCNC1CCC(Sc2n[nH]c(=O)n2CC)C1.
What is the InChIKey of 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
The InChIKey is IRYBWYMEFBMNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4OS/c1-3-12-8-5-6-9(7-8)17-11-14-13-10(16)15(11)4-2/h8-9,12H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one?
4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one has a molecular weight of 256.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 64722473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).