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

C10H12N4O2 — CID 117257056

IUPACmethyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCNCc1nnc2cccc(C(=O)OC)n12
InChIInChI=1S/C10H12N4O2/c1-11-6-9-13-12-8-5-3-4-7(14(8)9)10(15)16-2/h3-5,11H,6H2,1-2H3
InChIKeySMNSWNAVWLELFD-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.24
Rot. Bonds3

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

methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (PubChem CID 117257056) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
PubChem CID117257056
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Namemethyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate
SMILESCNCc1nnc2cccc(C(=O)OC)n12
InChIInChI=1S/C10H12N4O2/c1-11-6-9-13-12-8-5-3-4-7(14(8)9)10(15)16-2/h3-5,11H,6H2,1-2H3
InChIKeySMNSWNAVWLELFD-UHFFFAOYSA-N
XLogP0.24
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate (CID 117257056) is methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is CNCc1nnc2cccc(C(=O)OC)n12.
What is the InChIKey of methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
The InChIKey is SMNSWNAVWLELFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-11-6-9-13-12-8-5-3-4-7(14(8)9)10(15)16-2/h3-5,11H,6H2,1-2H3.
What are the key properties of methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate?
methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate has a molecular weight of 220.23 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylaminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylate is sourced from PubChem (CID 117257056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).