4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine

C9H16N4O — CID 64534850

IUPAC4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCOC(C)c1nc(N)nc(CC)n1
InChIInChI=1S/C9H16N4O/c1-4-7-11-8(6(3)14-5-2)13-9(10)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyFODJSSUOIPOEHL-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.11
Rot. Bonds4

About 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine

4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 64534850) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine
PubChem CID64534850
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCOC(C)c1nc(N)nc(CC)n1
InChIInChI=1S/C9H16N4O/c1-4-7-11-8(6(3)14-5-2)13-9(10)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13)
InChIKeyFODJSSUOIPOEHL-UHFFFAOYSA-N
XLogP1.11
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine (CID 64534850) is 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine is CCOC(C)c1nc(N)nc(CC)n1.
What is the InChIKey of 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is FODJSSUOIPOEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-4-7-11-8(6(3)14-5-2)13-9(10)12-7/h6H,4-5H2,1-3H3,(H2,10,11,12,13).
What are the key properties of 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine?
4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 196.25 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxyethyl)-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 64534850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).