methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate

C14H20N4O3 — CID 60966575

About methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate

methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate (PubChem CID 60966575) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate.

Molecular Properties

• Compound Name: methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
• PubChem CID: 60966575
• Molecular Formula: C14H20N4O3
• Molecular Weight: 292.34 g/mol
• Exact Mass: 292.15
• IUPAC Name: methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate
• SMILES: COC(=O)C(C)CN(C)CCn1nc2ccccn2c1=O
• InChI: InChI=1S/C14H20N4O3/c1-11(13(19)21-3)10-16(2)8-9-18-14(20)17-7-5-4-6-12(17)15-18/h4-7,11H,8-10H2,1-3H3
• InChIKey: AFRDGYKXTAUIOQ-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 68.84 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.34
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate?

The IUPAC name of methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate (CID 60966575) is methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate.

What is the SMILES notation for methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate?

The canonical SMILES for methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate is COC(=O)C(C)CN(C)CCn1nc2ccccn2c1=O.

What is the InChIKey of methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate?

The InChIKey is AFRDGYKXTAUIOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11(13(19)21-3)10-16(2)8-9-18-14(20)17-7-5-4-6-12(17)15-18/h4-7,11H,8-10H2,1-3H3.

What are the key properties of methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate?

methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate has a molecular weight of 292.34 g/mol, XLogP of 0.24, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-methyl-3-[methyl-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]amino]propanoate is sourced from PubChem (CID 60966575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).