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

C13H17N5O2 — CID 62690960

IUPAC2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid
SMILESCc1cc(N2CCCC(CC(=O)O)C2)n2ncnc2n1
InChIInChI=1S/C13H17N5O2/c1-9-5-11(18-13(16-9)14-8-15-18)17-4-2-3-10(7-17)6-12(19)20/h5,8,10H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyQNYRHEQQWDTBCG-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.12
Rot. Bonds3

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

2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid (PubChem CID 62690960) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid
PubChem CID62690960
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid
SMILESCc1cc(N2CCCC(CC(=O)O)C2)n2ncnc2n1
InChIInChI=1S/C13H17N5O2/c1-9-5-11(18-13(16-9)14-8-15-18)17-4-2-3-10(7-17)6-12(19)20/h5,8,10H,2-4,6-7H2,1H3,(H,19,20)
InChIKeyQNYRHEQQWDTBCG-UHFFFAOYSA-N
XLogP1.12
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid (CID 62690960) is 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid is Cc1cc(N2CCCC(CC(=O)O)C2)n2ncnc2n1.
What is the InChIKey of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid?
The InChIKey is QNYRHEQQWDTBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-9-5-11(18-13(16-9)14-8-15-18)17-4-2-3-10(7-17)6-12(19)20/h5,8,10H,2-4,6-7H2,1H3,(H,19,20).
What are the key properties of 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid?
2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid has a molecular weight of 275.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-3-yl]acetic acid is sourced from PubChem (CID 62690960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).