N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C12H19N5O2S — CID 4211849

IUPACN,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C12H19N5O2S/c1-6-16(7-2)20(18,19)12-14-11-13-9(4)8(3)10(5)17(11)15-12/h6-7H2,1-5H3
InChIKeyTWGRZOIXUVHWJI-UHFFFAOYSA-N
MW297.38 g/mol
LogP1.08
Rot. Bonds4

About N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 4211849) has the molecular formula C12H19N5O2S and a molecular weight of 297.38 g/mol. Its IUPAC name is N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID4211849
Molecular FormulaC12H19N5O2S
Molecular Weight297.38 g/mol
Exact Mass297.13
IUPAC NameN,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C12H19N5O2S/c1-6-16(7-2)20(18,19)12-14-11-13-9(4)8(3)10(5)17(11)15-12/h6-7H2,1-5H3
InChIKeyTWGRZOIXUVHWJI-UHFFFAOYSA-N
XLogP1.08
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-dimethyl-N,N-dipropyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 715197
N-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 1521544
5,7-dimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 714971
N-hexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4665699
5,7-dimethyl-N-propyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 1719433
N,N-Diethyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 551849
5,6,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 600789
5,6,7-trimethyl-N,N-dipropyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 706958
5,6,7-Trimethyl-2-(piperidin-1-ylsulfonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 755820
5,6,7-trimethyl-N-(3-methylbutyl)[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 755822
5,6,7-Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonic acid allylamide
CID 3924402
5,6,7-Trimethyl-2-[(4-methylpiperidin-1-yl)sulfonyl][1,2,4]triazolo[1,5-a]pyrimidine
CID 4044358

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 4211849) is N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is CCN(CC)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1.
What is the InChIKey of N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is TWGRZOIXUVHWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2S/c1-6-16(7-2)20(18,19)12-14-11-13-9(4)8(3)10(5)17(11)15-12/h6-7H2,1-5H3.
What are the key properties of N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 297.38 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,6,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 4211849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).