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

C14H19N5O2 — CID 62217503

IUPAC3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid
SMILESCc1cc(N2CCCCC2CCC(=O)O)n2ncnc2n1
InChIInChI=1S/C14H19N5O2/c1-10-8-12(19-14(17-10)15-9-16-19)18-7-3-2-4-11(18)5-6-13(20)21/h8-9,11H,2-7H2,1H3,(H,20,21)
InChIKeyOPSRLJUUCUEIRD-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.66
Rot. Bonds4

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

3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid (PubChem CID 62217503) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid
PubChem CID62217503
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid
SMILESCc1cc(N2CCCCC2CCC(=O)O)n2ncnc2n1
InChIInChI=1S/C14H19N5O2/c1-10-8-12(19-14(17-10)15-9-16-19)18-7-3-2-4-11(18)5-6-13(20)21/h8-9,11H,2-7H2,1H3,(H,20,21)
InChIKeyOPSRLJUUCUEIRD-UHFFFAOYSA-N
XLogP1.66
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid?
The IUPAC name of 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid (CID 62217503) is 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid?
The canonical SMILES for 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid is Cc1cc(N2CCCCC2CCC(=O)O)n2ncnc2n1.
What is the InChIKey of 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid?
The InChIKey is OPSRLJUUCUEIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-10-8-12(19-14(17-10)15-9-16-19)18-7-3-2-4-11(18)5-6-13(20)21/h8-9,11H,2-7H2,1H3,(H,20,21).
What are the key properties of 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid?
3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid has a molecular weight of 289.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]propanoic acid is sourced from PubChem (CID 62217503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).