N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide

C17H21N5O2S — CID 23602109

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)c(C)c1
InChIInChI=1S/C17H21N5O2S/c1-10-6-11(2)16(12(3)7-10)25(23,24)18-9-15-20-17-19-13(4)8-14(5)22(17)21-15/h6-8,18H,9H2,1-5H3
InChIKeyHYMQPKLHAQFVMV-UHFFFAOYSA-N
MW359.46 g/mol
LogP2.14
Rot. Bonds4

About N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide

N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide (PubChem CID 23602109) has the molecular formula C17H21N5O2S and a molecular weight of 359.46 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
PubChem CID23602109
Molecular FormulaC17H21N5O2S
Molecular Weight359.46 g/mol
Exact Mass359.14
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)c(C)c1
InChIInChI=1S/C17H21N5O2S/c1-10-6-11(2)16(12(3)7-10)25(23,24)18-9-15-20-17-19-13(4)8-14(5)22(17)21-15/h6-8,18H,9H2,1-5H3
InChIKeyHYMQPKLHAQFVMV-UHFFFAOYSA-N
XLogP2.14
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide 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-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide (CID 23602109) is N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide is Cc1cc(C)c(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)c(C)c1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
The InChIKey is HYMQPKLHAQFVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2S/c1-10-6-11(2)16(12(3)7-10)25(23,24)18-9-15-20-17-19-13(4)8-14(5)22(17)21-15/h6-8,18H,9H2,1-5H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide?
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide has a molecular weight of 359.46 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 23602109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).