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

C14H15N5O2S — CID 571797

IUPAC5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3C)nc2n1
InChIInChI=1S/C14H15N5O2S/c1-9-6-4-5-7-12(9)18-22(20,21)14-16-13-15-10(2)8-11(3)19(13)17-14/h4-8,18H,1-3H3
InChIKeyROVODHHIVMJHCE-UHFFFAOYSA-N
MW317.37 g/mol
LogP1.85
Rot. Bonds3

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

5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 571797) has the molecular formula C14H15N5O2S and a molecular weight of 317.37 g/mol. Its IUPAC name is 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID571797
Molecular FormulaC14H15N5O2S
Molecular Weight317.37 g/mol
Exact Mass317.09
IUPAC Name5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3C)nc2n1
InChIInChI=1S/C14H15N5O2S/c1-9-6-4-5-7-12(9)18-22(20,21)14-16-13-15-10(2)8-11(3)19(13)17-14/h4-8,18H,1-3H3
InChIKeyROVODHHIVMJHCE-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

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 571797) is 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)Nc3ccccc3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is ROVODHHIVMJHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O2S/c1-9-6-4-5-7-12(9)18-22(20,21)14-16-13-15-10(2)8-11(3)19(13)17-14/h4-8,18H,1-3H3.
What are the key properties of 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide 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 5,7-dimethyl-N-(2-methylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 571797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).