methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C11H10N6O2 — CID 112735710

IUPACmethyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(-c3cn(C)nn3)n2c1
InChIInChI=1S/C11H10N6O2/c1-16-6-8(12-15-16)10-14-13-9-4-3-7(5-17(9)10)11(18)19-2/h3-6H,1-2H3
InChIKeyXWOYQKNHFZYMRJ-UHFFFAOYSA-N
MW258.24 g/mol
LogP0.31
Rot. Bonds2

About methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 112735710) has the molecular formula C11H10N6O2 and a molecular weight of 258.24 g/mol. Its IUPAC name is methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID112735710
Molecular FormulaC11H10N6O2
Molecular Weight258.24 g/mol
Exact Mass258.09
IUPAC Namemethyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(-c3cn(C)nn3)n2c1
InChIInChI=1S/C11H10N6O2/c1-16-6-8(12-15-16)10-14-13-9-4-3-7(5-17(9)10)11(18)19-2/h3-6H,1-2H3
InChIKeyXWOYQKNHFZYMRJ-UHFFFAOYSA-N
XLogP0.31
TPSA87.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 3-(1,3-dimethylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 102802259
methyl 3-(2-methylpyrazol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384756
methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384822
methyl 3-(5-bromothiophen-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 107965674
methyl 3-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 106754119
methyl 3-(2,5-dibromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114375490
methyl 3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 84614376
methyl 3-(4-ethylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384647
methyl 3-(4-propan-2-ylthiadiazol-5-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384814
methyl 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384703
methyl 3-(propoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 114018630
methyl 3-butan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384807

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 112735710) is methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1ccc2nnc(-c3cn(C)nn3)n2c1.
What is the InChIKey of methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is XWOYQKNHFZYMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N6O2/c1-16-6-8(12-15-16)10-14-13-9-4-3-7(5-17(9)10)11(18)19-2/h3-6H,1-2H3.
What are the key properties of methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 258.24 g/mol, XLogP of 0.31, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methyltriazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 112735710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).