methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

C14H19N5O2 — CID 117257323

About methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate

methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (PubChem CID 117257323) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.

Molecular Properties

• Compound Name: methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
• PubChem CID: 117257323
• Molecular Formula: C14H19N5O2
• Molecular Weight: 289.34 g/mol
• Exact Mass: 289.15
• IUPAC Name: methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
• SMILES: COC(=O)c1ccn2c(CN3CCN(C)CC3)nnc2c1
• InChI: InChI=1S/C14H19N5O2/c1-17-5-7-18(8-6-17)10-13-16-15-12-9-11(14(20)21-2)3-4-19(12)13/h3-4,9H,5-8,10H2,1-2H3
• InChIKey: FNSPWTXKUIBIKK-UHFFFAOYSA-N
• XLogP: 0.26
• TPSA: 62.97 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.34
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?

The IUPAC name of methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate (CID 117257323) is methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate.

What is the SMILES notation for methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?

The canonical SMILES for methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(CN3CCN(C)CC3)nnc2c1.

What is the InChIKey of methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?

The InChIKey is FNSPWTXKUIBIKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-17-5-7-18(8-6-17)10-13-16-15-12-9-11(14(20)21-2)3-4-19(12)13/h3-4,9H,5-8,10H2,1-2H3.

What are the key properties of methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate?

methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[(4-methylpiperazin-1-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate is sourced from PubChem (CID 117257323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).