2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate

C17H16N4O3 — CID 71988167

IUPAC2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate
SMILESCc1cc(-n2cncn2)ccc1C(=O)OCCn1ccccc1=O
InChIInChI=1S/C17H16N4O3/c1-13-10-14(21-12-18-11-19-21)5-6-15(13)17(23)24-9-8-20-7-3-2-4-16(20)22/h2-7,10-12H,8-9H2,1H3
InChIKeyUHKZMSARHMIZBQ-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.59
Rot. Bonds5

About 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate

2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate (PubChem CID 71988167) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate.

Molecular Properties

Compound Name2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate
PubChem CID71988167
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC Name2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate
SMILESCc1cc(-n2cncn2)ccc1C(=O)OCCn1ccccc1=O
InChIInChI=1S/C17H16N4O3/c1-13-10-14(21-12-18-11-19-21)5-6-15(13)17(23)24-9-8-20-7-3-2-4-16(20)22/h2-7,10-12H,8-9H2,1H3
InChIKeyUHKZMSARHMIZBQ-UHFFFAOYSA-N
XLogP1.59
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate?
The IUPAC name of 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate (CID 71988167) is 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate.
What is the SMILES notation for 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate?
The canonical SMILES for 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate is Cc1cc(-n2cncn2)ccc1C(=O)OCCn1ccccc1=O.
What is the InChIKey of 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate?
The InChIKey is UHKZMSARHMIZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-13-10-14(21-12-18-11-19-21)5-6-15(13)17(23)24-9-8-20-7-3-2-4-16(20)22/h2-7,10-12H,8-9H2,1H3.
What are the key properties of 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate?
2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate has a molecular weight of 324.34 g/mol, XLogP of 1.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-1-pyridinyl)ethyl 2-methyl-4-(1,2,4-triazol-1-yl)benzoate is sourced from PubChem (CID 71988167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).