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

C16H16N6O3S — CID 162467414

IUPACN-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(S(N)(=O)=O)cc3)n2n1
InChIInChI=1S/C16H16N6O3S/c1-9-18-14-8-13(20-16(23)11-2-3-11)19-15(22(14)21-9)10-4-6-12(7-5-10)26(17,24)25/h4-8,11H,2-3H2,1H3,(H,20,23)(H2,17,24,25)
InChIKeyZBHWPTUWYKYZOA-UHFFFAOYSA-N
MW372.41 g/mol
LogP1.10
Rot. Bonds4

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

N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (PubChem CID 162467414) has the molecular formula C16H16N6O3S and a molecular weight of 372.41 g/mol. Its IUPAC name is N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
PubChem CID162467414
Molecular FormulaC16H16N6O3S
Molecular Weight372.41 g/mol
Exact Mass372.10
IUPAC NameN-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
SMILESCc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(S(N)(=O)=O)cc3)n2n1
InChIInChI=1S/C16H16N6O3S/c1-9-18-14-8-13(20-16(23)11-2-3-11)19-15(22(14)21-9)10-4-6-12(7-5-10)26(17,24)25/h4-8,11H,2-3H2,1H3,(H,20,23)(H2,17,24,25)
InChIKeyZBHWPTUWYKYZOA-UHFFFAOYSA-N
XLogP1.10
TPSA132.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-[4-(cyclopropylsulfonylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
CID 44626178
N-[5-[3-[[(4-methylphenyl) sulfonyl]amino]phenyl][1,2,4]triazolo[1,5-c]pyrimidin-2-yl]acetamide
CID 13590353
N-(5-(4-(2-fluorophenylsulfonamido) phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44625692
N-(5-(4-(4-fluorophenylsulfonamido) phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44626049
N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
CID 162467353
N-[5-(3-fluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]acetamide
CID 162467361
N-[5-(3,4-difluorophenyl)-2-methyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide
CID 162467395
N-(4-(N-(4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)sulfamoyl)phenyl)acetamide
CID 16194971
N-(2-(6-((2-(diethylamino)ethyl)amino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethyl)-4-methylbenzenesulfonamide
CID 16194969
N-(5-(4-(phenylsulfonamido)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44626246
N-(5-(4-(4-propylphenylsulfonamido) phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 44626248
N-(5-(4-(N-cyclopropylsulfamoyl)phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide
CID 58374680

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide (CID 162467414) is N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is Cc1nc2cc(NC(=O)C3CC3)nc(-c3ccc(S(N)(=O)=O)cc3)n2n1.
What is the InChIKey of N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
The InChIKey is ZBHWPTUWYKYZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3S/c1-9-18-14-8-13(20-16(23)11-2-3-11)19-15(22(14)21-9)10-4-6-12(7-5-10)26(17,24)25/h4-8,11H,2-3H2,1H3,(H,20,23)(H2,17,24,25).
What are the key properties of N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide?
N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide has a molecular weight of 372.41 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-(4-sulfamoylphenyl)-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 162467414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).