5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one

C8H13N5OS — CID 107530243

IUPAC5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one
SMILESCn1c(N)nnc1SCC1CCC(=O)N1
InChIInChI=1S/C8H13N5OS/c1-13-7(9)11-12-8(13)15-4-5-2-3-6(14)10-5/h5H,2-4H2,1H3,(H2,9,11)(H,10,14)
InChIKeyDAIVCIGPWOFBHJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP-0.23
Rot. Bonds3

About 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one

5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one (PubChem CID 107530243) has the molecular formula C8H13N5OS and a molecular weight of 227.29 g/mol. Its IUPAC name is 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one
PubChem CID107530243
Molecular FormulaC8H13N5OS
Molecular Weight227.29 g/mol
Exact Mass227.08
IUPAC Name5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one
SMILESCn1c(N)nnc1SCC1CCC(=O)N1
InChIInChI=1S/C8H13N5OS/c1-13-7(9)11-12-8(13)15-4-5-2-3-6(14)10-5/h5H,2-4H2,1H3,(H2,9,11)(H,10,14)
InChIKeyDAIVCIGPWOFBHJ-UHFFFAOYSA-N
XLogP-0.23
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-Cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
CID 47018290
2-((5-Amino-4-methyl-4h-1,2,4-triazol-3-yl)thio)-N-(pentan-3-yl)acetamide
CID 40043535
(2S)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7509333
(2R)-N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 7509334
N-cyclopentyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 18777204
(2R)-N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 30179737
(2S)-N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 30179739
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclohexylacetamide
CID 35395811
(3R)-3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
CID 42202441
(3S)-3-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]azepan-2-one
CID 42202443
N-cyclopentyl-2-[(4-cyclopropyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 42893564
2-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylacetamide
CID 47158117

Frequently Asked Questions

What is the IUPAC name of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one?
The IUPAC name of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one (CID 107530243) is 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one is Cn1c(N)nnc1SCC1CCC(=O)N1.
What is the InChIKey of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one?
The InChIKey is DAIVCIGPWOFBHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5OS/c1-13-7(9)11-12-8(13)15-4-5-2-3-6(14)10-5/h5H,2-4H2,1H3,(H2,9,11)(H,10,14).
What are the key properties of 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one?
5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one has a molecular weight of 227.29 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-amino-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyrrolidin-2-one is sourced from PubChem (CID 107530243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).