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

C11H18N4O2 — CID 105362056

IUPAC3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid
SMILESCCc1nnc(N(C)CCC(=O)O)nc1CC
InChIInChI=1S/C11H18N4O2/c1-4-8-9(5-2)13-14-11(12-8)15(3)7-6-10(16)17/h4-7H2,1-3H3,(H,16,17)
InChIKeyBXWHCARAAUODEI-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.91
Rot. Bonds6

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

3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid (PubChem CID 105362056) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid
PubChem CID105362056
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid
SMILESCCc1nnc(N(C)CCC(=O)O)nc1CC
InChIInChI=1S/C11H18N4O2/c1-4-8-9(5-2)13-14-11(12-8)15(3)7-6-10(16)17/h4-7H2,1-3H3,(H,16,17)
InChIKeyBXWHCARAAUODEI-UHFFFAOYSA-N
XLogP0.91
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid?
The IUPAC name of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid (CID 105362056) is 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid is CCc1nnc(N(C)CCC(=O)O)nc1CC.
What is the InChIKey of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid?
The InChIKey is BXWHCARAAUODEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-8-9(5-2)13-14-11(12-8)15(3)7-6-10(16)17/h4-7H2,1-3H3,(H,16,17).
What are the key properties of 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid?
3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]propanoic acid is sourced from PubChem (CID 105362056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).