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

C14H15N5O2S — CID 10041521

IUPACN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C14H15N5O2S/c1-9-4-6-12(7-5-9)22(20,21)18-13-16-14-15-10(2)8-11(3)19(14)17-13/h4-8H,1-3H3,(H,17,18)
InChIKeyXZZVAUYWNOPNPG-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.85
Rot. Bonds3

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

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide (PubChem CID 10041521) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide
PubChem CID10041521
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC NameN-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C)n3n2)cc1
InChIInChI=1S/C14H15N5O2S/c1-9-4-6-12(7-5-9)22(20,21)18-13-16-14-15-10(2)8-11(3)19(14)17-13/h4-8H,1-3H3,(H,17,18)
InChIKeyXZZVAUYWNOPNPG-UHFFFAOYSA-N
XLogP1.85
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide 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

N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)formamide
CID 124896200
5,7-dimethyl-N-[(3-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 3620899
5,7-dimethyl-N-(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 66490765
N-(4-methylphenyl)-4-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]benzenesulfonamide;hydrochloride
CID 162665410
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-4-(2-methylpropyl)benzenesulfonamide
CID 23602115
5,7-dimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 66490771
5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 571797
N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37357505
5,7-dimethyl-N-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 3615353
N-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-N-(4-ethoxyphenyl)-4-methylbenzenesulfonamide
CID 46268202
N-(2,6-dichloro-3-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 14155157
N-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-methylbenzenesulfonamide
CID 22205094

Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide (CID 10041521) is N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2nc3nc(C)cc(C)n3n2)cc1.
What is the InChIKey of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide?
The InChIKey is XZZVAUYWNOPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-9-4-6-12(7-5-9)22(20,21)18-13-16-14-15-10(2)8-11(3)19(14)17-13/h4-8H,1-3H3,(H,17,18).
What are the key properties of N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide?
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide has a molecular weight of 317.37 g/mol, XLogP of 1.85, 3 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)-4-methylbenzenesulfonamide is sourced from PubChem (CID 10041521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).