methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate

C17H18N6O2 — CID 133460254

About methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate

methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate (PubChem CID 133460254) has the molecular formula C17H18N6O2 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate
• PubChem CID: 133460254
• Molecular Formula: C17H18N6O2
• Molecular Weight: 338.37 g/mol
• Exact Mass: 338.15
• IUPAC Name: methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate
• SMILES: COC(=O)c1ccc(CNc2cc(C)nc3ncnn23)nc1C1CC1
• InChI: InChI=1S/C17H18N6O2/c1-10-7-14(23-17(21-10)19-9-20-23)18-8-12-5-6-13(16(24)25-2)15(22-12)11-3-4-11/h5-7,9,11,18H,3-4,8H2,1-2H3
• InChIKey: XRBSHZQZZXZUQT-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 94.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	338.37
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate?

The IUPAC name of methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate (CID 133460254) is methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate.

What is the SMILES notation for methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate?

The canonical SMILES for methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(CNc2cc(C)nc3ncnn23)nc1C1CC1.

What is the InChIKey of methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate?

The InChIKey is XRBSHZQZZXZUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O2/c1-10-7-14(23-17(21-10)19-9-20-23)18-8-12-5-6-13(16(24)25-2)15(22-12)11-3-4-11/h5-7,9,11,18H,3-4,8H2,1-2H3.

What are the key properties of methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate?

methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 338.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-cyclopropyl-6-[[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 133460254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).