ethyl triazolo[1,5-a]pyridine-3-carboxylate

C9H9N3O2 — CID 13111408

IUPACethyl triazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnn2ccccc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8-7-5-3-4-6-12(7)11-10-8/h3-6H,2H2,1H3
InChIKeyVRLIDWIOFRTKSK-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.91
Rot. Bonds2

About ethyl triazolo[1,5-a]pyridine-3-carboxylate

ethyl triazolo[1,5-a]pyridine-3-carboxylate (PubChem CID 13111408) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is ethyl triazolo[1,5-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl triazolo[1,5-a]pyridine-3-carboxylate
PubChem CID13111408
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Nameethyl triazolo[1,5-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnn2ccccc12
InChIInChI=1S/C9H9N3O2/c1-2-14-9(13)8-7-5-3-4-6-12(7)11-10-8/h3-6H,2H2,1H3
InChIKeyVRLIDWIOFRTKSK-UHFFFAOYSA-N
XLogP0.91
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl propanoate;ethyl pyrazolo[1,5-a]pyridine-3-carboxylate
CID 161412024
ethyl 3-(3-methylimidazo[4,5-c]pyridin-2-yl)pyrazolo[1,5-a]pyridine-2-carboxylate
CID 167963488
ethyl 5-aminotriazolo[1,5-a]quinazoline-3-carboxylate
CID 10848731
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
diethyl 1-[[2-[[4,5-bis(ethoxycarbonyl)triazol-1-yl]methyl]phenyl]methyl]triazole-4,5-dicarboxylate
CID 4232507
ethyl 4-oxotriazolo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 132557247
ethyl 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[1,5-a]pyridine-3-carboxylate
CID 170634291
ethyl 2-(4-methoxyphenyl)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 144559581
ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl 5-(benzotriazol-1-yl)thiadiazole-4-carboxylate
CID 1499204

Frequently Asked Questions

What is the IUPAC name of ethyl triazolo[1,5-a]pyridine-3-carboxylate?
The IUPAC name of ethyl triazolo[1,5-a]pyridine-3-carboxylate (CID 13111408) is ethyl triazolo[1,5-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl triazolo[1,5-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl triazolo[1,5-a]pyridine-3-carboxylate is CCOC(=O)c1nnn2ccccc12.
What is the InChIKey of ethyl triazolo[1,5-a]pyridine-3-carboxylate?
The InChIKey is VRLIDWIOFRTKSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-2-14-9(13)8-7-5-3-4-6-12(7)11-10-8/h3-6H,2H2,1H3.
What are the key properties of ethyl triazolo[1,5-a]pyridine-3-carboxylate?
ethyl triazolo[1,5-a]pyridine-3-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl triazolo[1,5-a]pyridine-3-carboxylate is sourced from PubChem (CID 13111408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).