4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole

C7H12N4O2S — CID 97301297

IUPAC4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole
SMILESCn1cnnc1S(=O)(=O)[C@@H]1CCNC1
InChIInChI=1S/C7H12N4O2S/c1-11-5-9-10-7(11)14(12,13)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeySAOUCAKMUMJCOC-ZCFIWIBFSA-N
MW216.27 g/mol
LogP-1.05
Rot. Bonds2

About 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole

4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole (PubChem CID 97301297) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole
PubChem CID97301297
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole
SMILESCn1cnnc1S(=O)(=O)[C@@H]1CCNC1
InChIInChI=1S/C7H12N4O2S/c1-11-5-9-10-7(11)14(12,13)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1
InChIKeySAOUCAKMUMJCOC-ZCFIWIBFSA-N
XLogP-1.05
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole 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

4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-propan-2-ylsulfonylpiperidine
CID 90592398
4-methyl-3-[(3R)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917936
4-methyl-3-[(3S)-pyrrolidin-3-yl]-1,2,4-triazole
CID 94917937
[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 90592105
2-cyclohexyl-1-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]ethanone
CID 90592311
4,6-dimethyl-2-[(3S)-pyrrolidin-3-yl]sulfonylpyrimidine
CID 71638314
1-(4-methoxyphenyl)sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592472
N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]piperidine-3-sulfonamide
CID 63330269
4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]-1-[(E)-2-phenylethenyl]sulfonylpiperidine
CID 71809109
2H-benzotriazol-5-yl-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidin-1-yl]methanone
CID 90592285
1-[(E)-2-(4-methylphenyl)ethenyl]sulfonyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfonyl]piperidine
CID 90592460
(3R)-3-(4-methylphenyl)sulfonylpyrrolidine
CID 7016814

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole?
The IUPAC name of 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole (CID 97301297) is 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole.
What is the SMILES notation for 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole?
The canonical SMILES for 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole is Cn1cnnc1S(=O)(=O)[C@@H]1CCNC1.
What is the InChIKey of 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole?
The InChIKey is SAOUCAKMUMJCOC-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-11-5-9-10-7(11)14(12,13)6-2-3-8-4-6/h5-6,8H,2-4H2,1H3/t6-/m1/s1.
What are the key properties of 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole?
4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole has a molecular weight of 216.27 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3R)-pyrrolidin-3-yl]sulfonyl-1,2,4-triazole is sourced from PubChem (CID 97301297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).