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

C15H17N5O2S — CID 715192

IUPAC5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5O2S/c1-11-10-12(2)20-14(17-11)18-15(19-20)23(21,22)16-9-8-13-6-4-3-5-7-13/h3-7,10,16H,8-9H2,1-2H3
InChIKeyQAWXSCHHYDQUCH-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.26
Rot. Bonds5

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

5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 715192) has the molecular formula C15H17N5O2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID715192
Molecular FormulaC15H17N5O2S
Molecular Weight331.40 g/mol
Exact Mass331.11
IUPAC Name5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1
InChIInChI=1S/C15H17N5O2S/c1-11-10-12(2)20-14(17-11)18-15(19-20)23(21,22)16-9-8-13-6-4-3-5-7-13/h3-7,10,16H,8-9H2,1-2H3
InChIKeyQAWXSCHHYDQUCH-UHFFFAOYSA-N
XLogP1.26
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

5-Methyl-7-phenyl[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
CID 975713
2-(Methylthio)-7-phenylpyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 2819177
5-Methyl-2-methylsulfanyl-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 1255801
N-benzyl-N,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706075
N-benzyl-4-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methyl-1,3,5-triazin-2-amine
CID 877206
N-benzyl-N-ethyl-5,6,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 1242591
2-(Methylsulfanyl)-5-phenyl-7-(trifluoromethyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 1255621
2,5-dimethyl-N-(3-methylbutyl)-3-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2002577
2-ethyl-5-methyl-N-[2-(3-methylphenyl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 22431832
N-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methyl]-2,4,6-trimethylbenzenesulfonamide
CID 23602109
N-[3-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenyl]-methanesulfonamide
CID 24905159
N-[4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-phenyl]-methanesulfonamide
CID 24905161

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 715192) is 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is QAWXSCHHYDQUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2S/c1-11-10-12(2)20-14(17-11)18-15(19-20)23(21,22)16-9-8-13-6-4-3-5-7-13/h3-7,10,16H,8-9H2,1-2H3.
What are the key properties of 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 331.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-N-(2-phenylethyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 715192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).