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

C15H25N5O2S — CID 714971

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

5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 714971) has the molecular formula C15H25N5O2S and a molecular weight of 339.47 g/mol. Its IUPAC name is 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

• Compound Name: 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
• PubChem CID: 714971
• Molecular Formula: C15H25N5O2S
• Molecular Weight: 339.47 g/mol
• Exact Mass: 339.17
• IUPAC Name: 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
• SMILES: Cc1cc(C)n2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nc2n1
• InChI: InChI=1S/C15H25N5O2S/c1-10(2)8-19(9-11(3)4)23(21,22)15-17-14-16-12(5)7-13(6)20(14)18-15/h7,10-11H,8-9H2,1-6H3
• InChIKey: VQXVYJFUDCUINS-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 80.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.47
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?

The IUPAC name of 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 714971) is 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

What is the SMILES notation for 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?

The canonical SMILES for 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)N(CC(C)C)CC(C)C)nc2n1.

What is the InChIKey of 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?

The InChIKey is VQXVYJFUDCUINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2S/c1-10(2)8-19(9-11(3)4)23(21,22)15-17-14-16-12(5)7-13(6)20(14)18-15/h7,10-11H,8-9H2,1-6H3.

What are the key properties of 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?

5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 339.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 714971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).