N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide

C10H15N5O3S — CID 26434472

IUPACN-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C10H15N5O3S/c1-7-6-8(2)15-9(12-7)13-10(14-15)19(16,17)11-4-5-18-3/h6,11H,4-5H2,1-3H3
InChIKeySLQLJRBYLCSVDD-UHFFFAOYSA-N
MW285.33 g/mol
LogP-0.33
Rot. Bonds5

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

N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (PubChem CID 26434472) has the molecular formula C10H15N5O3S and a molecular weight of 285.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
PubChem CID26434472
Molecular FormulaC10H15N5O3S
Molecular Weight285.33 g/mol
Exact Mass285.09
IUPAC NameN-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
SMILESCOCCNS(=O)(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C10H15N5O3S/c1-7-6-8(2)15-9(12-7)13-10(14-15)19(16,17)11-4-5-18-3/h6,11H,4-5H2,1-3H3
InChIKeySLQLJRBYLCSVDD-UHFFFAOYSA-N
XLogP-0.33
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.33
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]hexanoic acid
CID 100917989
N-(1-methoxypropan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46529231
methyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 14155354
N-(2-hydroxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 43393604
N-(2-cyano-3-methylbutan-2-yl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 590740
ethyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-2-methyl-3H-pyrazole-4-carboxylate
CID 22151093
5,7-dimethyl-N-(2-nitrophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide
CID 3615353
5,7-dimethyl-2-(3-phenylpropylsulfonyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 99843152
ethyl 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]thiophene-2-carboxylate
CID 54486722
propan-2-yl 2-bromo-3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfonylamino]-4-methylbenzoate
CID 14155414
N-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 10041521
N-(3-aminopropyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 119408047

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The IUPAC name of N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide (CID 26434472) is N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide.
What is the SMILES notation for N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The canonical SMILES for N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is COCCNS(=O)(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
The InChIKey is SLQLJRBYLCSVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3S/c1-7-6-8(2)15-9(12-7)13-10(14-15)19(16,17)11-4-5-18-3/h6,11H,4-5H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide?
N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide has a molecular weight of 285.33 g/mol, XLogP of -0.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide is sourced from PubChem (CID 26434472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).