N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide

C18H20N6O3S — CID 162467458

IUPACN-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(S(=O)(=O)N(C)C)cc3)n2n1
InChIInChI=1S/C18H20N6O3S/c1-11-19-16-10-15(21-18(25)13-4-5-13)20-17(24(16)22-11)12-6-8-14(9-7-12)28(26,27)23(2)3/h6-10,13H,4-5H2,1-3H3,(H,21,25)
InChIKeyYJASQSBRKJSSFY-UHFFFAOYSA-N
MW400.46 g/mol
LogP1.70
Rot. Bonds5

About N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide

N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (PubChem CID 162467458) has the molecular formula C18H20N6O3S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
PubChem CID162467458
Molecular FormulaC18H20N6O3S
Molecular Weight400.46 g/mol
Exact Mass400.13
IUPAC NameN-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(S(=O)(=O)N(C)C)cc3)n2n1
InChIInChI=1S/C18H20N6O3S/c1-11-19-16-10-15(21-18(25)13-4-5-13)20-17(24(16)22-11)12-6-8-14(9-7-12)28(26,27)23(2)3/h6-10,13H,4-5H2,1-3H3,(H,21,25)
InChIKeyYJASQSBRKJSSFY-UHFFFAOYSA-N
XLogP1.70
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 6619879
CID 6619879
CID 13590353
CID 13590353
CID 44625692
CID 44625692
CID 44626049
CID 44626049
CID 162467353
CID 162467353
CID 162467395
CID 162467395
CID 16194970
CID 16194970
CID 16194969
CID 16194969
CID 44625140
CID 44625140
CID 44626246
CID 44626246
CID 44626248
CID 44626248
CID 58374680
CID 58374680

Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (CID 162467458) is N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is Cc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(S(=O)(=O)N(C)C)cc3)n2n1.
What is the InChIKey of N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The InChIKey is YJASQSBRKJSSFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3S/c1-11-19-16-10-15(21-18(25)13-4-5-13)20-17(24(16)22-11)12-6-8-14(9-7-12)28(26,27)23(2)3/h6-10,13H,4-5H2,1-3H3,(H,21,25).
What are the key properties of N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide has a molecular weight of 400.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(dimethylsulfamoyl)phenyl]-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162467458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).