4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one

C6H8N4OS — CID 143941392

IUPAC4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ncnn2S)CN1
InChIInChI=1S/C6H8N4OS/c11-5-1-4(2-7-5)6-8-3-9-10(6)12/h3-4,12H,1-2H2,(H,7,11)
InChIKeyKJYJHOVZXDPWHD-UHFFFAOYSA-N
MW184.22 g/mol
LogP-0.43
Rot. Bonds1

About 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one

4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one (PubChem CID 143941392) has the molecular formula C6H8N4OS and a molecular weight of 184.22 g/mol. Its IUPAC name is 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one
PubChem CID143941392
Molecular FormulaC6H8N4OS
Molecular Weight184.22 g/mol
Exact Mass184.04
IUPAC Name4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one
SMILESO=C1CC(c2ncnn2S)CN1
InChIInChI=1S/C6H8N4OS/c11-5-1-4(2-7-5)6-8-3-9-10(6)12/h3-4,12H,1-2H2,(H,7,11)
InChIKeyKJYJHOVZXDPWHD-UHFFFAOYSA-N
XLogP-0.43
TPSA59.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.22
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

4-pyridin-2-ylpyrrolidin-2-one
CID 47002994
(4S)-4-(3-methylimidazol-4-yl)pyrrolidin-2-one
CID 97031037
4-(3-cyclopropylimidazol-4-yl)pyrrolidin-2-one
CID 66140674
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
(4S)-4-(5-amino-2-pyridinyl)pyrrolidin-2-one
CID 124634642
4-(5-bromo-3-pyridinyl)pyrrolidin-2-one
CID 102567776
4-(2-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 130580485
(4S)-4-(1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 129498729
4-phenylpyrrolidin-2-one;hydrate
CID 171699854
carbon dioxide;(4R)-4-(5-methylthiophen-2-yl)pyrrolidin-2-one
CID 160524844
4-(1-propan-2-yltriazol-4-yl)pyrrolidin-2-one
CID 130549123
(4R)-4-(6-amino-5-methyl-3-pyridinyl)pyrrolidin-2-one
CID 124634670

Frequently Asked Questions

What is the IUPAC name of 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The IUPAC name of 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one (CID 143941392) is 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one is O=C1CC(c2ncnn2S)CN1.
What is the InChIKey of 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
The InChIKey is KJYJHOVZXDPWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4OS/c11-5-1-4(2-7-5)6-8-3-9-10(6)12/h3-4,12H,1-2H2,(H,7,11).
What are the key properties of 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one?
4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one has a molecular weight of 184.22 g/mol, XLogP of -0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-sulfanyl-1,2,4-triazol-3-yl)pyrrolidin-2-one is sourced from PubChem (CID 143941392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).