2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid

C13H17N5O3 — CID 65217994

About 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid

2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid (PubChem CID 65217994) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid.

Molecular Properties

• Compound Name: 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
• PubChem CID: 65217994
• Molecular Formula: C13H17N5O3
• Molecular Weight: 291.31 g/mol
• Exact Mass: 291.13
• IUPAC Name: 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid
• SMILES: CCc1c(C(=O)NCC(CC)C(=O)O)cnc2ncnn12
• InChI: InChI=1S/C13H17N5O3/c1-3-8(12(20)21)5-14-11(19)9-6-15-13-16-7-17-18(13)10(9)4-2/h6-8H,3-5H2,1-2H3,(H,14,19)(H,20,21)
• InChIKey: GYFXPCJIBNANQY-UHFFFAOYSA-N
• XLogP: 0.53
• TPSA: 109.48 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	291.31
LogP ≤ 5	0.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid?

The IUPAC name of 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid (CID 65217994) is 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid.

What is the SMILES notation for 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid?

The canonical SMILES for 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid is CCc1c(C(=O)NCC(CC)C(=O)O)cnc2ncnn12.

What is the InChIKey of 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid?

The InChIKey is GYFXPCJIBNANQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-3-8(12(20)21)5-14-11(19)9-6-15-13-16-7-17-18(13)10(9)4-2/h6-8H,3-5H2,1-2H3,(H,14,19)(H,20,21).

What are the key properties of 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid?

2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(7-ethyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]methyl]butanoic acid is sourced from PubChem (CID 65217994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).