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

C14H23N5O2S — CID 706958

IUPAC5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C14H23N5O2S/c1-6-8-18(9-7-2)22(20,21)14-16-13-15-11(4)10(3)12(5)19(13)17-14/h6-9H2,1-5H3
InChIKeyAEILMOZWIZIRFG-UHFFFAOYSA-N
MW325.44 g/mol
LogP1.86
Rot. Bonds6

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

5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 706958) has the molecular formula C14H23N5O2S and a molecular weight of 325.44 g/mol. Its IUPAC name is 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID706958
Molecular FormulaC14H23N5O2S
Molecular Weight325.44 g/mol
Exact Mass325.16
IUPAC Name5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1
InChIInChI=1S/C14H23N5O2S/c1-6-8-18(9-7-2)22(20,21)14-16-13-15-11(4)10(3)12(5)19(13)17-14/h6-9H2,1-5H3
InChIKeyAEILMOZWIZIRFG-UHFFFAOYSA-N
XLogP1.86
TPSA80.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 51.86
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-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
N,N-diethyl-5,6,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4211849
5,6,7-trimethyl-N,N-bis(2-methylpropyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 4234556

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 706958) is 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is CCCN(CCC)S(=O)(=O)c1nc2nc(C)c(C)c(C)n2n1.
What is the InChIKey of 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is AEILMOZWIZIRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2S/c1-6-8-18(9-7-2)22(20,21)14-16-13-15-11(4)10(3)12(5)19(13)17-14/h6-9H2,1-5H3.
What are the key properties of 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 325.44 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-N,N-dipropyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 706958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).