ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

C15H13N3O2 — CID 102491621

IUPACethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2ncnc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)12-8-9-18-14(16-10-17-18)13(12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyCJUPPQLBENXVJI-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.57
Rot. Bonds3

About ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate

ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (PubChem CID 102491621) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.

Molecular Properties

Compound Nameethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
PubChem CID102491621
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Nameethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate
SMILESCCOC(=O)c1ccn2ncnc2c1-c1ccccc1
InChIInChI=1S/C15H13N3O2/c1-2-20-15(19)12-8-9-18-14(16-10-17-18)13(12)11-6-4-3-5-7-11/h3-10H,2H2,1H3
InChIKeyCJUPPQLBENXVJI-UHFFFAOYSA-N
XLogP2.57
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl imidazo[1,2-b]pyridazine-8-carboxylate
CID 139465945
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 7-amino-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 654938
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
ethyl 5,6-diiodo-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate;ethyl 7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 158052131
ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 11230936
ethyl 7-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 656076
ethyl 8-(4-nitrophenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 76849694
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 5-methyl-2-phenylpyridine-3-carboxylate
CID 11849906
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713

Frequently Asked Questions

What is the IUPAC name of ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The IUPAC name of ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate (CID 102491621) is ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate.
What is the SMILES notation for ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The canonical SMILES for ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is CCOC(=O)c1ccn2ncnc2c1-c1ccccc1.
What is the InChIKey of ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
The InChIKey is CJUPPQLBENXVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-2-20-15(19)12-8-9-18-14(16-10-17-18)13(12)11-6-4-3-5-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate?
ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-phenyl-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylate is sourced from PubChem (CID 102491621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).