2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid

C15H21N5O3 — CID 122090958

About 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid

2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid (PubChem CID 122090958) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

• Compound Name: 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
• PubChem CID: 122090958
• Molecular Formula: C15H21N5O3
• Molecular Weight: 319.37 g/mol
• Exact Mass: 319.16
• IUPAC Name: 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid
• SMILES: CC(CN(C)C(=O)Nc1ccc2nnc(C(C)C)n2c1)C(=O)O
• InChI: InChI=1S/C15H21N5O3/c1-9(2)13-18-17-12-6-5-11(8-20(12)13)16-15(23)19(4)7-10(3)14(21)22/h5-6,8-10H,7H2,1-4H3,(H,16,23)(H,21,22)
• InChIKey: ZXBZEKVVNWUTMA-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 99.83 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	319.37
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?

The IUPAC name of 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid (CID 122090958) is 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid.

What is the SMILES notation for 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?

The canonical SMILES for 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid is CC(CN(C)C(=O)Nc1ccc2nnc(C(C)C)n2c1)C(=O)O.

What is the InChIKey of 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?

The InChIKey is ZXBZEKVVNWUTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-9(2)13-18-17-12-6-5-11(8-20(12)13)16-15(23)19(4)7-10(3)14(21)22/h5-6,8-10H,7H2,1-4H3,(H,16,23)(H,21,22).

What are the key properties of 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid?

2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid has a molecular weight of 319.37 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-3-[methyl-[(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 122090958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).