5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H21N5O2S — CID 715197

IUPAC5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H21N5O2S/c1-5-7-17(8-6-2)21(19,20)13-15-12-14-10(3)9-11(4)18(12)16-13/h9H,5-8H2,1-4H3
InChIKeySALFBALOLCUEDY-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.55
Rot. Bonds6

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

5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 715197) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID715197
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C13H21N5O2S/c1-5-7-17(8-6-2)21(19,20)13-15-12-14-10(3)9-11(4)18(12)16-13/h9H,5-8H2,1-4H3
InChIKeySALFBALOLCUEDY-UHFFFAOYSA-N
XLogP1.55
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 715197) is 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is CCCN(CCC)S(=O)(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is SALFBALOLCUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-5-7-17(8-6-2)21(19,20)13-15-12-14-10(3)9-11(4)18(12)16-13/h9H,5-8H2,1-4H3.
What are the key properties of 5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,7-dimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.55, 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-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 715197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).