methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

C9H9N3O2 — CID 117142818

IUPACmethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nnc(C)n12
InChIInChI=1S/C9H9N3O2/c1-6-10-11-8-5-3-4-7(12(6)8)9(13)14-2/h3-5H,1-2H3
InChIKeyORKJIIFKCYCVQV-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.82
Rot. Bonds1

About methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate

methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (PubChem CID 117142818) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
PubChem CID117142818
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Namemethyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nnc(C)n12
InChIInChI=1S/C9H9N3O2/c1-6-10-11-8-5-3-4-7(12(6)8)9(13)14-2/h3-5H,1-2H3
InChIKeyORKJIIFKCYCVQV-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

Analyze methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate with MolForge

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Related Compounds

methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117257056
methyl 3-thiophen-2-yl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142735
methyl 3-(5-chlorofuran-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142734
methyl 3-(1,1-dioxothian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142477
methyl 3-(oxolan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
CID 117142448
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 66720768
methyl 2-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 68585795
methyl 3-(5-methylthiophen-2-yl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117142725
methyl 3-tert-butylimidazo[1,5-a]pyridine-5-carboxylate
CID 117142820
methyl 3-[(cyclopentylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255978
methyl 3-[(4-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117256025
methyl 3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 117255995

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (CID 117142818) is methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is COC(=O)c1cccc2nnc(C)n12.
What is the InChIKey of methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The InChIKey is ORKJIIFKCYCVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-6-10-11-8-5-3-4-7(12(6)8)9(13)14-2/h3-5H,1-2H3.
What are the key properties of methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
methyl 3-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-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-methyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is sourced from PubChem (CID 117142818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).