N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C18H22N6O3S — CID 4851816

IUPACN-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C18H22N6O3S/c1-5-23(6-2)28(26,27)15-9-7-8-14(11-15)20-17(25)16-21-18-19-12(3)10-13(4)24(18)22-16/h7-11H,5-6H2,1-4H3,(H,20,25)
InChIKeyCJWRNPUGNOJQTQ-UHFFFAOYSA-N
MW402.48 g/mol
LogP2.02
Rot. Bonds6

About N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 4851816) has the molecular formula C18H22N6O3S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID4851816
Molecular FormulaC18H22N6O3S
Molecular Weight402.48 g/mol
Exact Mass402.15
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1
InChIInChI=1S/C18H22N6O3S/c1-5-23(6-2)28(26,27)15-9-7-8-14(11-15)20-17(25)16-21-18-19-12(3)10-13(4)24(18)22-16/h7-11H,5-6H2,1-4H3,(H,20,25)
InChIKeyCJWRNPUGNOJQTQ-UHFFFAOYSA-N
XLogP2.02
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[(4-chlorophenyl)sulfonylamino]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 37357505
5,7-dimethyl-N-[3-(propylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46485618
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26899346
N-(3-iodo-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 7925593
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 4968926
N-(4-carbamoylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 8885438
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(3-sulfamoylphenyl)acetamide
CID 4968901
N-[3-(diethylsulfamoyl)-4-methylphenyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4830966
N-[2-(dimethylamino)-5-(dimethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31893771
N-(3-fluoro-4-methylphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 26737028
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 4851816) is N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2nc3nc(C)cc(C)n3n2)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CJWRNPUGNOJQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O3S/c1-5-23(6-2)28(26,27)15-9-7-8-14(11-15)20-17(25)16-21-18-19-12(3)10-13(4)24(18)22-16/h7-11H,5-6H2,1-4H3,(H,20,25).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 402.48 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 4851816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).