3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

C11H14N4O2 — CID 6485514

IUPAC3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2nc(C)c(CCC(=O)O)c(C)n2n1
InChIInChI=1S/C11H14N4O2/c1-6-9(4-5-10(16)17)7(2)15-11(12-6)13-8(3)14-15/h4-5H2,1-3H3,(H,16,17)
InChIKeyMKEJYGMTOSXNLM-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.07
Rot. Bonds3

About 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid

3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (PubChem CID 6485514) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.

Molecular Properties

Compound Name3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
PubChem CID6485514
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
SMILESCc1nc2nc(C)c(CCC(=O)O)c(C)n2n1
InChIInChI=1S/C11H14N4O2/c1-6-9(4-5-10(16)17)7(2)15-11(12-6)13-8(3)14-15/h4-5H2,1-3H3,(H,16,17)
InChIKeyMKEJYGMTOSXNLM-UHFFFAOYSA-N
XLogP1.07
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The IUPAC name of 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid (CID 6485514) is 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid.
What is the SMILES notation for 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The canonical SMILES for 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid is Cc1nc2nc(C)c(CCC(=O)O)c(C)n2n1.
What is the InChIKey of 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
The InChIKey is MKEJYGMTOSXNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-6-9(4-5-10(16)17)7(2)15-11(12-6)13-8(3)14-15/h4-5H2,1-3H3,(H,16,17).
What are the key properties of 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid?
3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid has a molecular weight of 234.26 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid is sourced from PubChem (CID 6485514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).