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

C13H19N5O2S — CID 714974

IUPACN-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)NC3CCCCC3)nc2n1
InChIInChI=1S/C13H19N5O2S/c1-9-8-10(2)18-12(14-9)15-13(16-18)21(19,20)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3
InChIKeyFJAVUUDZKAUOOH-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.35
Rot. Bonds3

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

N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 714974) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID714974
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC NameN-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1cc(C)n2nc(S(=O)(=O)NC3CCCCC3)nc2n1
InChIInChI=1S/C13H19N5O2S/c1-9-8-10(2)18-12(14-9)15-13(16-18)21(19,20)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3
InChIKeyFJAVUUDZKAUOOH-UHFFFAOYSA-N
XLogP1.35
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.35
H-Bond Donors ≤ 51
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-[3-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl)propyl]propane-1-sulfonamide
CID 47071875
N,N-Diethyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 551849
N-(2-cyano-3-methylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 590740
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
5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 595832
5,7-Dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 611232

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 714974) is N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1cc(C)n2nc(S(=O)(=O)NC3CCCCC3)nc2n1.
What is the InChIKey of N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is FJAVUUDZKAUOOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-9-8-10(2)18-12(14-9)15-13(16-18)21(19,20)17-11-6-4-3-5-7-11/h8,11,17H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 714974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).