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

C11H13N5O3 — CID 60989689

About 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid

3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid (PubChem CID 60989689) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid.

Molecular Properties

• Compound Name: 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
• PubChem CID: 60989689
• Molecular Formula: C11H13N5O3
• Molecular Weight: 263.26 g/mol
• Exact Mass: 263.10
• IUPAC Name: 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid
• SMILES: Cc1c(C(=O)N(C)CCC(=O)O)cnc2ncnn12
• InChI: InChI=1S/C11H13N5O3/c1-7-8(5-12-11-13-6-14-16(7)11)10(19)15(2)4-3-9(17)18/h5-6H,3-4H2,1-2H3,(H,17,18)
• InChIKey: LGCNXZZVQSKFPD-UHFFFAOYSA-N
• XLogP: -0.02
• TPSA: 100.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	263.26
LogP ≤ 5	-0.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?

The IUPAC name of 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid (CID 60989689) is 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid.

What is the SMILES notation for 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?

The canonical SMILES for 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid is Cc1c(C(=O)N(C)CCC(=O)O)cnc2ncnn12.

What is the InChIKey of 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?

The InChIKey is LGCNXZZVQSKFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c1-7-8(5-12-11-13-6-14-16(7)11)10(19)15(2)4-3-9(17)18/h5-6H,3-4H2,1-2H3,(H,17,18).

What are the key properties of 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid?

3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid has a molecular weight of 263.26 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[methyl-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)amino]propanoic acid is sourced from PubChem (CID 60989689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).