3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one

C7H11N3OS — CID 137184742

IUPAC3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(SC2CCCC2)[nH]1
InChIInChI=1S/C7H11N3OS/c11-6-8-7(10-9-6)12-5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10,11)
InChIKeySFAQCRHVWYPDSF-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.13
Rot. Bonds2

About 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one

3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one (PubChem CID 137184742) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
PubChem CID137184742
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(SC2CCCC2)[nH]1
InChIInChI=1S/C7H11N3OS/c11-6-8-7(10-9-6)12-5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10,11)
InChIKeySFAQCRHVWYPDSF-UHFFFAOYSA-N
XLogP1.13
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
The IUPAC name of 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one (CID 137184742) is 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one.
What is the SMILES notation for 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
The canonical SMILES for 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one is O=c1[nH]nc(SC2CCCC2)[nH]1.
What is the InChIKey of 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
The InChIKey is SFAQCRHVWYPDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c11-6-8-7(10-9-6)12-5-3-1-2-4-5/h5H,1-4H2,(H2,8,9,10,11).
What are the key properties of 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one?
3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one has a molecular weight of 185.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentylsulfanyl-1,4-dihydro-1,2,4-triazol-5-one is sourced from PubChem (CID 137184742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).