1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid

C10H15N5O4S — CID 79312190

IUPAC1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(S(=O)(=O)N3CCCC3)C2)nn1
InChIInChI=1S/C10H15N5O4S/c16-10(17)9-7-15(12-11-9)8-5-14(6-8)20(18,19)13-3-1-2-4-13/h7-8H,1-6H2,(H,16,17)
InChIKeyMUVIAXDFDCCSAM-UHFFFAOYSA-N
MW301.33 g/mol
LogP-0.83
Rot. Bonds4

About 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid

1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid (PubChem CID 79312190) has the molecular formula C10H15N5O4S and a molecular weight of 301.33 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
PubChem CID79312190
Molecular FormulaC10H15N5O4S
Molecular Weight301.33 g/mol
Exact Mass301.08
IUPAC Name1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
SMILESO=C(O)c1cn(C2CN(S(=O)(=O)N3CCCC3)C2)nn1
InChIInChI=1S/C10H15N5O4S/c16-10(17)9-7-15(12-11-9)8-5-14(6-8)20(18,19)13-3-1-2-4-13/h7-8H,1-6H2,(H,16,17)
InChIKeyMUVIAXDFDCCSAM-UHFFFAOYSA-N
XLogP-0.83
TPSA108.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid 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-[1-(methylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806601
1-[1-(2-piperidin-1-ylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311767
1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]triazole-4-carboxylic acid
CID 129494797
1-(1-thiophen-2-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid
CID 79311323
1-[1-(propylsulfamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 114806600
1-(1-prop-2-ynoylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309642
1-[1-(2-ethylsulfonylethyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311999
1-[1-(furan-3-ylsulfonyl)piperidin-3-yl]triazole-4-carboxylic acid
CID 146092901
1-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]triazole-4-carboxylic acid
CID 146134344
1-(1-pentylazetidin-3-yl)triazole-4-carboxylic acid
CID 79309450
1-[1-(3-ethylsulfonylpropyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79311135
1-[1-(2-methylpropanoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79308885

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
The IUPAC name of 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid (CID 79312190) is 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
The canonical SMILES for 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid is O=C(O)c1cn(C2CN(S(=O)(=O)N3CCCC3)C2)nn1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
The InChIKey is MUVIAXDFDCCSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4S/c16-10(17)9-7-15(12-11-9)8-5-14(6-8)20(18,19)13-3-1-2-4-13/h7-8H,1-6H2,(H,16,17).
What are the key properties of 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid?
1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid has a molecular weight of 301.33 g/mol, XLogP of -0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)triazole-4-carboxylic acid is sourced from PubChem (CID 79312190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).