methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate

C24H34N4O5 — CID 166105493

About methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate

methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate (PubChem CID 166105493) has the molecular formula C24H34N4O5 and a molecular weight of 458.56 g/mol. Its IUPAC name is methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate.

Molecular Properties

• Compound Name: methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
• PubChem CID: 166105493
• Molecular Formula: C24H34N4O5
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.25
• IUPAC Name: methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate
• SMILES: CCc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1C1CCOC(CC(=O)OC)C1
• InChI: InChI=1S/C24H34N4O5/c1-4-19-18(16-10-12-31-17(13-16)14-22(29)30-3)8-9-20(25-19)24-21(28(2)27-26-24)15-33-23-7-5-6-11-32-23/h8-9,16-17,23H,4-7,10-15H2,1-3H3
• InChIKey: DMBOPXATSVCCLW-UHFFFAOYSA-N
• XLogP: 3.31
• TPSA: 97.59 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?

The IUPAC name of methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate (CID 166105493) is methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate.

What is the SMILES notation for methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?

The canonical SMILES for methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate is CCc1nc(-c2nnn(C)c2COC2CCCCO2)ccc1C1CCOC(CC(=O)OC)C1.

What is the InChIKey of methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?

The InChIKey is DMBOPXATSVCCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O5/c1-4-19-18(16-10-12-31-17(13-16)14-22(29)30-3)8-9-20(25-19)24-21(28(2)27-26-24)15-33-23-7-5-6-11-32-23/h8-9,16-17,23H,4-7,10-15H2,1-3H3.

What are the key properties of methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate?

methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate has a molecular weight of 458.56 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[4-[2-ethyl-6-[1-methyl-5-(oxan-2-yloxymethyl)triazol-4-yl]-3-pyridinyl]oxan-2-yl]acetate is sourced from PubChem (CID 166105493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).