methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate

C9H9N3O2 — CID 166128381

IUPACmethyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(C)nnn2c1
InChIInChI=1S/C9H9N3O2/c1-6-8-4-3-7(9(13)14-2)5-12(8)11-10-6/h3-5H,1-2H3
InChIKeyOCGRVOJGIVGOQO-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.82
Rot. Bonds1

About methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate

methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 166128381) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate
PubChem CID166128381
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2c(C)nnn2c1
InChIInChI=1S/C9H9N3O2/c1-6-8-4-3-7(9(13)14-2)5-12(8)11-10-6/h3-5H,1-2H3
InChIKeyOCGRVOJGIVGOQO-UHFFFAOYSA-N
XLogP0.82
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-methylpyrazolo[1,5-a]pyridine-6-carboxylate
CID 166128420
methyl 2-(methylsulfonylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117257789
dimethyl benzene-1,4-dicarboxylate;urea
CID 138489958
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
methyl 1-chloroindazole-5-carboxylate
CID 175375288
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631
methyl 4-methylbenzoate
CID 7455
methyl 4-methylbenzoate
CID 91113291
methyl 3-acetyl-2-methylimidazo[1,2-a]pyridine-6-carboxylate
CID 59176908
methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 112735710
methyl 3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 102802259
methyl 3-cyclopropyl-1-(2H-tetrazol-5-yl)indole-5-carboxylate
CID 66782433

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate (CID 166128381) is methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2c(C)nnn2c1.
What is the InChIKey of methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is OCGRVOJGIVGOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-8-4-3-7(9(13)14-2)5-12(8)11-10-6/h3-5H,1-2H3.
What are the key properties of methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate?
methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 191.19 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyltriazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 166128381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).