4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one

C10H11N3O2S — CID 104788125

IUPAC4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one
SMILESO=C1C=C(Sc2n[nH]c(=O)n2C2CC2)CC1
InChIInChI=1S/C10H11N3O2S/c14-7-3-4-8(5-7)16-10-12-11-9(15)13(10)6-1-2-6/h5-6H,1-4H2,(H,11,15)
InChIKeyMGGVEBDJYFTNTP-UHFFFAOYSA-N
MW237.28 g/mol
LogP1.25
Rot. Bonds3

About 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one

4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one (PubChem CID 104788125) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one
PubChem CID104788125
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one
SMILESO=C1C=C(Sc2n[nH]c(=O)n2C2CC2)CC1
InChIInChI=1S/C10H11N3O2S/c14-7-3-4-8(5-7)16-10-12-11-9(15)13(10)6-1-2-6/h5-6H,1-4H2,(H,11,15)
InChIKeyMGGVEBDJYFTNTP-UHFFFAOYSA-N
XLogP1.25
TPSA67.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-cyclopropyl-3-(2,5-dichloropyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 79632743
3-(2-aminophenyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62882476
4-cyclopropyl-3-[5-(hydroxymethyl)pyrimidin-2-yl]sulfanyl-1H-1,2,4-triazol-5-one
CID 113388745
3-(5-aminoisoquinolin-6-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 106948821
4-cyclopropyl-3-(5-iodopyrimidin-4-yl)sulfanyl-1H-1,2,4-triazol-5-one
CID 66318503
3-(3-amino-5-methylphenyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 112648796
4-cyclopropyl-3-(3-oxocyclopentyl)sulfanyl-1H-1,2,4-triazol-5-one
CID 60709506
3-(4-amino-2-chlorophenyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 62882119
3-(6-chloro-2-methylsulfanylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 80545725
3-(2-amino-3-chlorophenyl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 104835606
4-cyclopropyl-3-[(1R,2R)-2-hydroxycyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 102735736
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)sulfanyl-4-cyclopropyl-1H-1,2,4-triazol-5-one
CID 80929223

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one (CID 104788125) is 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one is O=C1C=C(Sc2n[nH]c(=O)n2C2CC2)CC1.
What is the InChIKey of 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one?
The InChIKey is MGGVEBDJYFTNTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-7-3-4-8(5-7)16-10-12-11-9(15)13(10)6-1-2-6/h5-6H,1-4H2,(H,11,15).
What are the key properties of 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one?
4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one has a molecular weight of 237.28 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-3-(3-oxocyclopenten-1-yl)sulfanyl-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 104788125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).