ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

C10H11N3O2 — CID 118674755

IUPACethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnc2ccc(C)cn12
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)9-12-11-8-5-4-7(2)6-13(8)9/h4-6H,3H2,1-2H3
InChIKeyGAJXCBXBEGLKDL-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.21
Rot. Bonds2

About ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate

ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (PubChem CID 118674755) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
PubChem CID118674755
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Nameethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
SMILESCCOC(=O)c1nnc2ccc(C)cn12
InChIInChI=1S/C10H11N3O2/c1-3-15-10(14)9-12-11-8-5-4-7(2)6-13(8)9/h4-6H,3H2,1-2H3
InChIKeyGAJXCBXBEGLKDL-UHFFFAOYSA-N
XLogP1.21
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-fluoro-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 118674805
ethyl 7-methyl-4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
CID 102144487
ethyl 6-methyl-3-nitrosoimidazo[1,2-a]pyridine-2-carboxylate
CID 14761410
ethyl 6-methyl-[1,2,4]triazolo[1,5-a]pyridine-2-carboxylate
CID 116989673
ethyl 1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]tetrazole-5-carboxylate
CID 79309593
6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
CID 590435
ethyl 3-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 25219507
ethyl 5-methyl-4-[1-(4-methylphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 83232466
2-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 105436826
ethyl 4-chloro-2-(6-methylimidazo[1,2-a]pyridin-3-yl)pyrimidine-5-carboxylate
CID 163718815
ethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 123942366
ethyl pyrrolo[2,1-c][1,2,4]triazine-3-carboxylate
CID 170452736

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate (CID 118674755) is ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is CCOC(=O)c1nnc2ccc(C)cn12.
What is the InChIKey of ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
The InChIKey is GAJXCBXBEGLKDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-3-15-10(14)9-12-11-8-5-4-7(2)6-13(8)9/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate?
ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate has a molecular weight of 205.22 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate is sourced from PubChem (CID 118674755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).