2-ethoxy-1,3,5-triazine

C5H7N3O — CID 19751196

IUPAC2-ethoxy-1,3,5-triazine
SMILESCCOc1ncncn1
InChIInChI=1S/C5H7N3O/c1-2-9-5-7-3-6-4-8-5/h3-4H,2H2,1H3
InChIKeyPHOZLFWBYCPFME-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.27
Rot. Bonds2

About 2-ethoxy-1,3,5-triazine

2-ethoxy-1,3,5-triazine (PubChem CID 19751196) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 2-ethoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-ethoxy-1,3,5-triazine
PubChem CID19751196
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name2-ethoxy-1,3,5-triazine
SMILESCCOc1ncncn1
InChIInChI=1S/C5H7N3O/c1-2-9-5-7-3-6-4-8-5/h3-4H,2H2,1H3
InChIKeyPHOZLFWBYCPFME-UHFFFAOYSA-N
XLogP0.27
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.13
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1,3,5-triazine?
The IUPAC name of 2-ethoxy-1,3,5-triazine (CID 19751196) is 2-ethoxy-1,3,5-triazine.
What is the SMILES notation for 2-ethoxy-1,3,5-triazine?
The canonical SMILES for 2-ethoxy-1,3,5-triazine is CCOc1ncncn1.
What is the InChIKey of 2-ethoxy-1,3,5-triazine?
The InChIKey is PHOZLFWBYCPFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-9-5-7-3-6-4-8-5/h3-4H,2H2,1H3.
What are the key properties of 2-ethoxy-1,3,5-triazine?
2-ethoxy-1,3,5-triazine has a molecular weight of 125.13 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1,3,5-triazine is sourced from PubChem (CID 19751196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).