methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate

C16H15N5O3 — CID 2243291

IUPACmethyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C16H15N5O3/c1-9-8-10(2)21-16(17-9)19-13(20-21)14(22)18-12-7-5-4-6-11(12)15(23)24-3/h4-8H,1-3H3,(H,18,22)
InChIKeyADBBZTKZPAZSBR-UHFFFAOYSA-N
MW325.33 g/mol
LogP1.78
Rot. Bonds3

About methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate

methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (PubChem CID 2243291) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
PubChem CID2243291
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Namemethyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1
InChIInChI=1S/C16H15N5O3/c1-9-8-10(2)21-16(17-9)19-13(20-21)14(22)18-12-7-5-4-6-11(12)15(23)24-3/h4-8H,1-3H3,(H,18,22)
InChIKeyADBBZTKZPAZSBR-UHFFFAOYSA-N
XLogP1.78
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate with MolForge

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Related Compounds

Methyl 2-({[5-cyclopropyl-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidin-3-yl]carbonyl}amino)benzoate
CID 2164709
Methyl 2-({[7-(difluoromethyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)benzoate
CID 1093900
Methyl 2-[[2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetyl]amino]benzoate
CID 16026209
Methyl 2-{[(6-bromopyrazolo[1,5-a]pyrimidin-2-yl)carbonyl]amino}benzoate
CID 2235559
Propyl 4-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
CID 2477717
Methyl 2-({[5-cyclopropyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]carbonyl}amino)benzoate
CID 2980952
Ethyl 3-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}benzoate
CID 3240080
Ethyl 4-{[3-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoyl]amino}benzoate
CID 3242774
Methyl 2-[(2,5-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308141
Ethyl 2-[(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]benzoate
CID 5308692
Methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)sulfamoyl]benzoate
CID 14750478
Methyl 2-{3-[2-(4-chlorophenyl)-5,7-dimethylpyrazolo[1,5-A]pyrimidin-6-YL]propanamido}benzoate
CID 16008408

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate (CID 2243291) is methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)c1nc2nc(C)cc(C)n2n1.
What is the InChIKey of methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
The InChIKey is ADBBZTKZPAZSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9-8-10(2)21-16(17-9)19-13(20-21)14(22)18-12-7-5-4-6-11(12)15(23)24-3/h4-8H,1-3H3,(H,18,22).
What are the key properties of methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate?
methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate has a molecular weight of 325.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 2243291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).