N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C15H17N5O4S — CID 632453

IUPACN-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C15H17N5O4S/c1-9-7-10(2)20-14(16-9)17-15(18-20)25(21,22)19-12-8-11(23-3)5-6-13(12)24-4/h5-8,19H,1-4H3
InChIKeyNQZNTHSJPZSYMX-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.56
Rot. Bonds5

About N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 632453) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID632453
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC NameN-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOc1ccc(OC)c(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C15H17N5O4S/c1-9-7-10(2)20-14(16-9)17-15(18-20)25(21,22)19-12-8-11(23-3)5-6-13(12)24-4/h5-8,19H,1-4H3
InChIKeyNQZNTHSJPZSYMX-UHFFFAOYSA-N
XLogP1.56
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 632453) is N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COc1ccc(OC)c(NS(=O)(=O)c2nc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is NQZNTHSJPZSYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-9-7-10(2)20-14(16-9)17-15(18-20)25(21,22)19-12-8-11(23-3)5-6-13(12)24-4/h5-8,19H,1-4H3.
What are the key properties of N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 363.40 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 632453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).