N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide

C17H27N7O3S — CID 71916888

IUPACN-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)CCNC(=O)C1CN(c2nccn3cnnc23)CC1C
InChIInChI=1S/C17H27N7O3S/c1-4-24(5-2)28(26,27)9-7-19-17(25)14-11-23(10-13(14)3)15-16-21-20-12-22(16)8-6-18-15/h6,8,12-14H,4-5,7,9-11H2,1-3H3,(H,19,25)
InChIKeyXEQNIFAEDPTOGI-UHFFFAOYSA-N
MW409.52 g/mol
LogP-0.02
Rot. Bonds8

About N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide

N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide (PubChem CID 71916888) has the molecular formula C17H27N7O3S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide
PubChem CID71916888
Molecular FormulaC17H27N7O3S
Molecular Weight409.52 g/mol
Exact Mass409.19
IUPAC NameN-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)CCNC(=O)C1CN(c2nccn3cnnc23)CC1C
InChIInChI=1S/C17H27N7O3S/c1-4-24(5-2)28(26,27)9-7-19-17(25)14-11-23(10-13(14)3)15-16-21-20-12-22(16)8-6-18-15/h6,8,12-14H,4-5,7,9-11H2,1-3H3,(H,19,25)
InChIKeyXEQNIFAEDPTOGI-UHFFFAOYSA-N
XLogP-0.02
TPSA112.80 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide (CID 71916888) is N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide is CCN(CC)S(=O)(=O)CCNC(=O)C1CN(c2nccn3cnnc23)CC1C.
What is the InChIKey of N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
The InChIKey is XEQNIFAEDPTOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7O3S/c1-4-24(5-2)28(26,27)9-7-19-17(25)14-11-23(10-13(14)3)15-16-21-20-12-22(16)8-6-18-15/h6,8,12-14H,4-5,7,9-11H2,1-3H3,(H,19,25).
What are the key properties of N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide?
N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide has a molecular weight of 409.52 g/mol, XLogP of -0.02, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylsulfamoyl)ethyl]-4-methyl-1-([1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 71916888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).