4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

C8H12N4O2 — CID 80868461

IUPAC4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(OCC)n1
InChIInChI=1S/C8H12N4O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3H,1,4-5H2,2H3,(H2,9,10,11,12)
InChIKeyVTPPURQBKHZGML-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.42
Rot. Bonds5

About 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine

4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 80868461) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID80868461
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(N)nc(OCC)n1
InChIInChI=1S/C8H12N4O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3H,1,4-5H2,2H3,(H2,9,10,11,12)
InChIKeyVTPPURQBKHZGML-UHFFFAOYSA-N
XLogP0.42
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 80868461) is 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(N)nc(OCC)n1.
What is the InChIKey of 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is VTPPURQBKHZGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-5-14-8-11-6(9)10-7(12-8)13-4-2/h3H,1,4-5H2,2H3,(H2,9,10,11,12).
What are the key properties of 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine?
4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 196.21 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).