methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate

C14H11N5O3 — CID 821880

IUPACmethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H11N5O3/c1-22-13(21)9-5-2-3-6-10(9)16-12(20)11-17-14-15-7-4-8-19(14)18-11/h2-8H,1H3,(H,16,20)
InChIKeyUYHCZZVSKHHDHN-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.16
Rot. Bonds3

About methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate

methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate (PubChem CID 821880) has the molecular formula C14H11N5O3 and a molecular weight of 297.27 g/mol. Its IUPAC name is methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
PubChem CID821880
Molecular FormulaC14H11N5O3
Molecular Weight297.27 g/mol
Exact Mass297.09
IUPAC Namemethyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)c1nc2ncccn2n1
InChIInChI=1S/C14H11N5O3/c1-22-13(21)9-5-2-3-6-10(9)16-12(20)11-17-14-15-7-4-8-19(14)18-11/h2-8H,1H3,(H,16,20)
InChIKeyUYHCZZVSKHHDHN-UHFFFAOYSA-N
XLogP1.16
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-acetylphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 44824683
methyl 2-[(3-chloropyrazolo[1,5-a]pyrimidine-2-carbonyl)amino]benzoate
CID 1257692
N-(2,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169206
methyl 2-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)amino]benzoate
CID 1211357
N-(2,4-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 1169223
N-[4-(dimethylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 821873
methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
methyl 2-[(2-bromopyridine-3-carbonyl)amino]benzoate
CID 103754028
methyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]benzoate
CID 15944141
methyl 2-[(4,6-dimethylpyrimidine-5-carbonyl)amino]benzoate
CID 110861617
methyl 2-[(1-methylimidazole-4-carbonyl)amino]benzoate
CID 103858088
methyl 2-(isoquinoline-1-carbonylamino)benzoate
CID 110861602

Frequently Asked Questions

What is the IUPAC name of methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate?
The IUPAC name of methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate (CID 821880) is methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate?
The canonical SMILES for methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate is COC(=O)c1ccccc1NC(=O)c1nc2ncccn2n1.
What is the InChIKey of methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate?
The InChIKey is UYHCZZVSKHHDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N5O3/c1-22-13(21)9-5-2-3-6-10(9)16-12(20)11-17-14-15-7-4-8-19(14)18-11/h2-8H,1H3,(H,16,20).
What are the key properties of methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate?
methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate has a molecular weight of 297.27 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-([1,2,4]triazolo[1,5-a]pyrimidine-2-carbonylamino)benzoate is sourced from PubChem (CID 821880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).