5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C13H21N5O2S — CID 755822

IUPAC5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)NCCC(C)C)nn2c(C)c1C
InChIInChI=1S/C13H21N5O2S/c1-8(2)6-7-14-21(19,20)13-16-12-15-10(4)9(3)11(5)18(12)17-13/h8,14H,6-7H2,1-5H3
InChIKeyVANMIWXIMRVPPL-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.37
Rot. Bonds5

About 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 755822) has the molecular formula C13H21N5O2S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound Name5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID755822
Molecular FormulaC13H21N5O2S
Molecular Weight311.41 g/mol
Exact Mass311.14
IUPAC Name5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)NCCC(C)C)nn2c(C)c1C
InChIInChI=1S/C13H21N5O2S/c1-8(2)6-7-14-21(19,20)13-16-12-15-10(4)9(3)11(5)18(12)17-13/h8,14H,6-7H2,1-5H3
InChIKeyVANMIWXIMRVPPL-UHFFFAOYSA-N
XLogP1.37
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.37
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-cyclohexyl-5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 714974
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,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-[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 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 755822) is 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1nc2nc(S(=O)(=O)NCCC(C)C)nn2c(C)c1C.
What is the InChIKey of 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is VANMIWXIMRVPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2S/c1-8(2)6-7-14-21(19,20)13-16-12-15-10(4)9(3)11(5)18(12)17-13/h8,14H,6-7H2,1-5H3.
What are the key properties of 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 311.41 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethyl-N-(3-methylbutyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 755822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).