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

C13H17N5O3 — CID 82009827

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

4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid (PubChem CID 82009827) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid.

Molecular Properties

• Compound Name: 4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
• PubChem CID: 82009827
• Molecular Formula: C13H17N5O3
• Molecular Weight: 291.31 g/mol
• Exact Mass: 291.13
• IUPAC Name: 4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid
• SMILES: Cc1ccnc2nc(C(=O)NCC(C)CCC(=O)O)nn12
• InChI: InChI=1S/C13H17N5O3/c1-8(3-4-10(19)20)7-15-12(21)11-16-13-14-6-5-9(2)18(13)17-11/h5-6,8H,3-4,7H2,1-2H3,(H,15,21)(H,19,20)
• InChIKey: BEPCJMSEAZVPED-UHFFFAOYSA-N
• XLogP: 0.66
• 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	0.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid (CID 82009827) is 4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid.

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

The canonical SMILES for 4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid is Cc1ccnc2nc(C(=O)NCC(C)CCC(=O)O)nn12.

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

The InChIKey is BEPCJMSEAZVPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-8(3-4-10(19)20)7-15-12(21)11-16-13-14-6-5-9(2)18(13)17-11/h5-6,8H,3-4,7H2,1-2H3,(H,15,21)(H,19,20).

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

4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid has a molecular weight of 291.31 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-5-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82009827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).