3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid

C14H19N5O3 — CID 119207162

About 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid

3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid (PubChem CID 119207162) has the molecular formula C14H19N5O3 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid.

Molecular Properties

• Compound Name: 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid
• PubChem CID: 119207162
• Molecular Formula: C14H19N5O3
• Molecular Weight: 305.34 g/mol
• Exact Mass: 305.15
• IUPAC Name: 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid
• SMILES: Cc1cc(C)n2nc(C(=O)N(CCC(=O)O)C(C)C)nc2n1
• InChI: InChI=1S/C14H19N5O3/c1-8(2)18(6-5-11(20)21)13(22)12-16-14-15-9(3)7-10(4)19(14)17-12/h7-8H,5-6H2,1-4H3,(H,20,21)
• InChIKey: YFIVNBFGDDXRSM-UHFFFAOYSA-N
• XLogP: 1.07
• TPSA: 100.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.34
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid (CID 119207162) is 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid.

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

The canonical SMILES for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid is Cc1cc(C)n2nc(C(=O)N(CCC(=O)O)C(C)C)nc2n1.

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

The InChIKey is YFIVNBFGDDXRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3/c1-8(2)18(6-5-11(20)21)13(22)12-16-14-15-9(3)7-10(4)19(14)17-12/h7-8H,5-6H2,1-4H3,(H,20,21).

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

3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid has a molecular weight of 305.34 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 119207162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).