N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C11H17N5O3S — CID 706960

IUPACN-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)N(C)CCO)nn2c(C)c1C
InChIInChI=1S/C11H17N5O3S/c1-7-8(2)12-10-13-11(14-16(10)9(7)3)20(18,19)15(4)5-6-17/h17H,5-6H2,1-4H3
InChIKeyBJMIZOQQKRPRLU-UHFFFAOYSA-N
MW299.36 g/mol
LogP-0.34
Rot. Bonds4

About N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 706960) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID706960
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC NameN-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCc1nc2nc(S(=O)(=O)N(C)CCO)nn2c(C)c1C
InChIInChI=1S/C11H17N5O3S/c1-7-8(2)12-10-13-11(14-16(10)9(7)3)20(18,19)15(4)5-6-17/h17H,5-6H2,1-4H3
InChIKeyBJMIZOQQKRPRLU-UHFFFAOYSA-N
XLogP-0.34
TPSA100.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
5,6,7-Trimethyl-2-(morpholin-4-ylsulfonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 672106
5,6,7-Trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 600789
5,6,7-Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonic acid diallylamide
CID 706955
5,6,7-Trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonyl chloride
CID 14155105
N-(2-hydroxyethyl)-N,5,7-trimethyl[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 714975

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 706960) is N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is Cc1nc2nc(S(=O)(=O)N(C)CCO)nn2c(C)c1C.
What is the InChIKey of N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is BJMIZOQQKRPRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3S/c1-7-8(2)12-10-13-11(14-16(10)9(7)3)20(18,19)15(4)5-6-17/h17H,5-6H2,1-4H3.
What are the key properties of N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 299.36 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N,5,6,7-tetramethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 706960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).