[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

C8H14N6O3S — CID 168681788

IUPAC[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCn1nc(N2CC(CS(N)(=O)=O)CC2=O)nc1N
InChIInChI=1S/C8H14N6O3S/c1-13-7(9)11-8(12-13)14-3-5(2-6(14)15)4-18(10,16)17/h5H,2-4H2,1H3,(H2,9,11,12)(H2,10,16,17)
InChIKeyAKHKBZUPINKDHN-UHFFFAOYSA-N
MW274.31 g/mol
LogP-1.96
Rot. Bonds3

About [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide

[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (PubChem CID 168681788) has the molecular formula C8H14N6O3S and a molecular weight of 274.31 g/mol. Its IUPAC name is [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.

Molecular Properties

Compound Name[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
PubChem CID168681788
Molecular FormulaC8H14N6O3S
Molecular Weight274.31 g/mol
Exact Mass274.08
IUPAC Name[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
SMILESCn1nc(N2CC(CS(N)(=O)=O)CC2=O)nc1N
InChIInChI=1S/C8H14N6O3S/c1-13-7(9)11-8(12-13)14-3-5(2-6(14)15)4-18(10,16)17/h5H,2-4H2,1H3,(H2,9,11,12)(H2,10,16,17)
InChIKeyAKHKBZUPINKDHN-UHFFFAOYSA-N
XLogP-1.96
TPSA137.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.31
LogP ≤ 5-1.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4,6-diamino-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683300
[1-(5-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681706
[1-(4-amino-6-methylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681741
[1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681795
(5-oxo-1-pyridazin-4-ylpyrrolidin-3-yl)methanesulfonamide
CID 168683247
[1-(4,6-dichloro-5-formylpyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683290
[1-(2,6-dichloro-4-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168683033
[1-(4-cyano-1,3-dimethylpyrazol-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681764
[(3R)-1-(4-bromophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 97297929
[1-(4-cyclopropyl-6-methylsulfanyl-1,3,5-triazin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681301
[1-(6-fluoro-5-iodo-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682613
[1-(5-bromo-4,6-dimethyl-2-pyridinyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681636

Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The IUPAC name of [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide (CID 168681788) is [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide.
What is the SMILES notation for [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The canonical SMILES for [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is Cn1nc(N2CC(CS(N)(=O)=O)CC2=O)nc1N.
What is the InChIKey of [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
The InChIKey is AKHKBZUPINKDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O3S/c1-13-7(9)11-8(12-13)14-3-5(2-6(14)15)4-18(10,16)17/h5H,2-4H2,1H3,(H2,9,11,12)(H2,10,16,17).
What are the key properties of [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide?
[1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide has a molecular weight of 274.31 g/mol, XLogP of -1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-1-methyl-1,2,4-triazol-3-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide is sourced from PubChem (CID 168681788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).