2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid

C15H17N7O3 — CID 119231211

About 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid

2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid (PubChem CID 119231211) has the molecular formula C15H17N7O3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid.

Molecular Properties

• Compound Name: 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid
• PubChem CID: 119231211
• Molecular Formula: C15H17N7O3
• Molecular Weight: 343.35 g/mol
• Exact Mass: 343.14
• IUPAC Name: 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid
• SMILES: Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccn(CC(=O)O)n1
• InChI: InChI=1S/C15H17N7O3/c1-9-11(10(2)22-15(18-9)16-8-17-22)3-4-13(23)19-12-5-6-21(20-12)7-14(24)25/h5-6,8H,3-4,7H2,1-2H3,(H,24,25)(H,19,20,23)
• InChIKey: WCWLOHASDHAAQY-UHFFFAOYSA-N
• XLogP: 0.59
• TPSA: 127.30 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.35
LogP ≤ 5	0.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid?

The IUPAC name of 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid (CID 119231211) is 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid.

What is the SMILES notation for 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid?

The canonical SMILES for 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid is Cc1nc2ncnn2c(C)c1CCC(=O)Nc1ccn(CC(=O)O)n1.

What is the InChIKey of 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid?

The InChIKey is WCWLOHASDHAAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O3/c1-9-11(10(2)22-15(18-9)16-8-17-22)3-4-13(23)19-12-5-6-21(20-12)7-14(24)25/h5-6,8H,3-4,7H2,1-2H3,(H,24,25)(H,19,20,23).

What are the key properties of 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid?

2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid has a molecular weight of 343.35 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoylamino]pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119231211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).