3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid

C15H24N4O2 — CID 105362083

IUPAC3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid
SMILESCCc1nnc(N2CCC(CCC(=O)O)CC2)nc1CC
InChIInChI=1S/C15H24N4O2/c1-3-12-13(4-2)17-18-15(16-12)19-9-7-11(8-10-19)5-6-14(20)21/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyXUDYLQPPZXLFFU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.08
Rot. Bonds6

About 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid

3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid (PubChem CID 105362083) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid
PubChem CID105362083
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid
SMILESCCc1nnc(N2CCC(CCC(=O)O)CC2)nc1CC
InChIInChI=1S/C15H24N4O2/c1-3-12-13(4-2)17-18-15(16-12)19-9-7-11(8-10-19)5-6-14(20)21/h11H,3-10H2,1-2H3,(H,20,21)
InChIKeyXUDYLQPPZXLFFU-UHFFFAOYSA-N
XLogP2.08
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid?
The IUPAC name of 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid (CID 105362083) is 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid?
The canonical SMILES for 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid is CCc1nnc(N2CCC(CCC(=O)O)CC2)nc1CC.
What is the InChIKey of 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid?
The InChIKey is XUDYLQPPZXLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-12-13(4-2)17-18-15(16-12)19-9-7-11(8-10-19)5-6-14(20)21/h11H,3-10H2,1-2H3,(H,20,21).
What are the key properties of 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid?
3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5,6-diethyl-1,2,4-triazin-3-yl)piperidin-4-yl]propanoic acid is sourced from PubChem (CID 105362083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).