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

C10H16N4O2 — CID 169491024

IUPAC2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid
SMILESCCc1nc(CC)nc(N(C)CC(=O)O)n1
InChIInChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyDXBUHNIKXJEPIB-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.52
Rot. Bonds5

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

2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid (PubChem CID 169491024) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid
PubChem CID169491024
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid
SMILESCCc1nc(CC)nc(N(C)CC(=O)O)n1
InChIInChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16)
InChIKeyDXBUHNIKXJEPIB-UHFFFAOYSA-N
XLogP0.52
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid (CID 169491024) is 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid is CCc1nc(CC)nc(N(C)CC(=O)O)n1.
What is the InChIKey of 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid?
The InChIKey is DXBUHNIKXJEPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-7-11-8(5-2)13-10(12-7)14(3)6-9(15)16/h4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid?
2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid has a molecular weight of 224.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-diethyl-1,3,5-triazin-2-yl)-methylamino]acetic acid is sourced from PubChem (CID 169491024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).