methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate

C17H17N3O3 — CID 158947812

IUPACmethyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate
SMILESCOC(=O)c1ccc(C2=C(C(C)C)C(=O)n3ncnc3C2)cc1
InChIInChI=1S/C17H17N3O3/c1-10(2)15-13(8-14-18-9-19-20(14)16(15)21)11-4-6-12(7-5-11)17(22)23-3/h4-7,9-10H,8H2,1-3H3
InChIKeyJLARYEGLZBWEOP-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.37
Rot. Bonds3

About methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate

methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate (PubChem CID 158947812) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate.

Molecular Properties

Compound Namemethyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate
PubChem CID158947812
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Namemethyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate
SMILESCOC(=O)c1ccc(C2=C(C(C)C)C(=O)n3ncnc3C2)cc1
InChIInChI=1S/C17H17N3O3/c1-10(2)15-13(8-14-18-9-19-20(14)16(15)21)11-4-6-12(7-5-11)17(22)23-3/h4-7,9-10H,8H2,1-3H3
InChIKeyJLARYEGLZBWEOP-UHFFFAOYSA-N
XLogP2.37
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate with MolForge

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Related Compounds

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CID 159353152
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methyl 4-[2-[3-(5-carbamoyl-1,2,4-triazol-1-yl)phenyl]phenyl]benzoate
CID 174528602
dimethyl 5-(4-methoxycarbonylphenyl)benzene-1,3-dicarboxylate
CID 118103022
methyl 4-methylbenzoate
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methyl 4-[4-(2-methylbutoxy)phenyl]benzoate
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methyl 4-(6-amino-5-methyl-3-pyridinyl)benzoate
CID 82556066
methyl 4-(5-propan-2-ylfuran-2-yl)benzoate
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Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate?
The IUPAC name of methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate (CID 158947812) is methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate.
What is the SMILES notation for methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate?
The canonical SMILES for methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate is COC(=O)c1ccc(C2=C(C(C)C)C(=O)n3ncnc3C2)cc1.
What is the InChIKey of methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate?
The InChIKey is JLARYEGLZBWEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10(2)15-13(8-14-18-9-19-20(14)16(15)21)11-4-6-12(7-5-11)17(22)23-3/h4-7,9-10H,8H2,1-3H3.
What are the key properties of methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate?
methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate has a molecular weight of 311.34 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-oxo-6-propan-2-yl-8H-[1,2,4]triazolo[1,5-a]pyridin-7-yl)benzoate is sourced from PubChem (CID 158947812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).