(3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid

C13H15N5O3 — CID 81127032

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

(3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid (PubChem CID 81127032) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
• PubChem CID: 81127032
• Molecular Formula: C13H15N5O3
• Molecular Weight: 289.30 g/mol
• Exact Mass: 289.12
• IUPAC Name: (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid
• SMILES: Cc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cnc2ncnn12
• InChI: InChI=1S/C13H15N5O3/c1-8-10(5-14-13-15-7-16-18(8)13)11(19)17-4-2-3-9(6-17)12(20)21/h5,7,9H,2-4,6H2,1H3,(H,20,21)/t9-/m1/s1
• InChIKey: APKRVGIATYLLTB-SECBINFHSA-N
• XLogP: 0.37
• TPSA: 100.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.30
LogP ≤ 5	0.37
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid (CID 81127032) is (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid.

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

The canonical SMILES for (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid is Cc1c(C(=O)N2CCC[C@@H](C(=O)O)C2)cnc2ncnn12.

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

The InChIKey is APKRVGIATYLLTB-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-8-10(5-14-13-15-7-16-18(8)13)11(19)17-4-2-3-9(6-17)12(20)21/h5,7,9H,2-4,6H2,1H3,(H,20,21)/t9-/m1/s1.

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

(3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid has a molecular weight of 289.30 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonyl)piperidine-3-carboxylic acid is sourced from PubChem (CID 81127032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).