benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate

C19H21N5O3 — CID 51180851

About benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate

benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate (PubChem CID 51180851) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate.

Molecular Properties

• Compound Name: benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate
• PubChem CID: 51180851
• Molecular Formula: C19H21N5O3
• Molecular Weight: 367.41 g/mol
• Exact Mass: 367.16
• IUPAC Name: benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)NCC(=O)OCc1ccccc1
• InChI: InChI=1S/C19H21N5O3/c1-13-16(14(2)24-19(23-13)21-12-22-24)8-9-17(25)20-10-18(26)27-11-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,20,25)
• InChIKey: GUDGPKVLZGQKEK-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 98.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.41
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate?

The IUPAC name of benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate (CID 51180851) is benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate.

What is the SMILES notation for benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate?

The canonical SMILES for benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate is Cc1nc2ncnn2c(C)c1CCC(=O)NCC(=O)OCc1ccccc1.

What is the InChIKey of benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate?

The InChIKey is GUDGPKVLZGQKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-13-16(14(2)24-19(23-13)21-12-22-24)8-9-17(25)20-10-18(26)27-11-15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3,(H,20,25).

What are the key properties of benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate?

benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate has a molecular weight of 367.41 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 2-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]acetate is sourced from PubChem (CID 51180851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).