3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid

C10H12N4O2 — CID 20855075

IUPAC3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCc1cc(C)n2nc(CCC(=O)O)nc2n1
InChIInChI=1S/C10H12N4O2/c1-6-5-7(2)14-10(11-6)12-8(13-14)3-4-9(15)16/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyLPCCSKRCCNGAQB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.76
Rot. Bonds3

About 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid

3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid (PubChem CID 20855075) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
PubChem CID20855075
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
SMILESCc1cc(C)n2nc(CCC(=O)O)nc2n1
InChIInChI=1S/C10H12N4O2/c1-6-5-7(2)14-10(11-6)12-8(13-14)3-4-9(15)16/h5H,3-4H2,1-2H3,(H,15,16)
InChIKeyLPCCSKRCCNGAQB-UHFFFAOYSA-N
XLogP0.76
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid (CID 20855075) is 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid is Cc1cc(C)n2nc(CCC(=O)O)nc2n1.
What is the InChIKey of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
The InChIKey is LPCCSKRCCNGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-5-7(2)14-10(11-6)12-8(13-14)3-4-9(15)16/h5H,3-4H2,1-2H3,(H,15,16).
What are the key properties of 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid?
3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid has a molecular weight of 220.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 20855075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).