5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid

C15H21N5O2 — CID 122106768

IUPAC5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid
SMILESCCCc1cc(N2CC(C)CC(C(=O)O)C2)n2ncnc2n1
InChIInChI=1S/C15H21N5O2/c1-3-4-12-6-13(20-15(18-12)16-9-17-20)19-7-10(2)5-11(8-19)14(21)22/h6,9-11H,3-5,7-8H2,1-2H3,(H,21,22)
InChIKeyYGKFIGQEEIMXHZ-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.62
Rot. Bonds4

About 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid

5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid (PubChem CID 122106768) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid
PubChem CID122106768
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid
SMILESCCCc1cc(N2CC(C)CC(C(=O)O)C2)n2ncnc2n1
InChIInChI=1S/C15H21N5O2/c1-3-4-12-6-13(20-15(18-12)16-9-17-20)19-7-10(2)5-11(8-19)14(21)22/h6,9-11H,3-5,7-8H2,1-2H3,(H,21,22)
InChIKeyYGKFIGQEEIMXHZ-UHFFFAOYSA-N
XLogP1.62
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid?
The IUPAC name of 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid (CID 122106768) is 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid is CCCc1cc(N2CC(C)CC(C(=O)O)C2)n2ncnc2n1.
What is the InChIKey of 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid?
The InChIKey is YGKFIGQEEIMXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-4-12-6-13(20-15(18-12)16-9-17-20)19-7-10(2)5-11(8-19)14(21)22/h6,9-11H,3-5,7-8H2,1-2H3,(H,21,22).
What are the key properties of 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid?
5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid has a molecular weight of 303.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(5-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 122106768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).