7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C15H15N5O3S — CID 27990793

IUPAC7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C15H15N5O3S/c1-9-4-5-11(24(3,22)23)8-12(9)17-14(21)13-18-15-16-7-6-10(2)20(15)19-13/h4-8H,1-3H3,(H,17,21)
InChIKeyYZKWVGVFCHYJLQ-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.40
Rot. Bonds3

About 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 27990793) has the molecular formula C15H15N5O3S and a molecular weight of 345.38 g/mol. Its IUPAC name is 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID27990793
Molecular FormulaC15H15N5O3S
Molecular Weight345.38 g/mol
Exact Mass345.09
IUPAC Name7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccc(S(C)(=O)=O)cc1NC(=O)c1nc2nccc(C)n2n1
InChIInChI=1S/C15H15N5O3S/c1-9-4-5-11(24(3,22)23)8-12(9)17-14(21)13-18-15-16-7-6-10(2)20(15)19-13/h4-8H,1-3H3,(H,17,21)
InChIKeyYZKWVGVFCHYJLQ-UHFFFAOYSA-N
XLogP1.40
TPSA106.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 71684974
N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4830966
N-(4-chlorophenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2516944
7-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 115593438
N-(5-chloro-2-piperidin-1-ylphenyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 17488366
N-methoxy-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47143299
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate
CID 2508579
N-cyclohexyl-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18150434
1-[(4,6-dimethylpyrimidin-2-yl)methyl]-3-(2-methyl-5-methylsulfonylphenyl)urea
CID 118773929
7-methyl-N-[2-(methylamino)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide;dihydrochloride
CID 119504074
3-amino-N-(2-methyl-5-methylsulfonylphenyl)pyridine-2-carboxamide
CID 104741220
N-(2-methyl-5-methylsulfonylphenyl)quinoxaline-2-carboxamide
CID 27990943

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 27990793) is 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1nc2nccc(C)n2n1.
What is the InChIKey of 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is YZKWVGVFCHYJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O3S/c1-9-4-5-11(24(3,22)23)8-12(9)17-14(21)13-18-15-16-7-6-10(2)20(15)19-13/h4-8H,1-3H3,(H,17,21).
What are the key properties of 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 345.38 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-(2-methyl-5-methylsulfonylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 27990793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).