6-ethoxy-1,2,4-triazine

C5H7N3O — CID 134989877

IUPAC6-ethoxy-1,2,4-triazine
SMILESCCOc1cncnn1
InChIInChI=1S/C5H7N3O/c1-2-9-5-3-6-4-7-8-5/h3-4H,2H2,1H3
InChIKeyOFFDFROUSPUWKW-UHFFFAOYSA-N
MW125.13 g/mol
LogP0.27
Rot. Bonds2

About 6-ethoxy-1,2,4-triazine

6-ethoxy-1,2,4-triazine (PubChem CID 134989877) has the molecular formula C5H7N3O and a molecular weight of 125.13 g/mol. Its IUPAC name is 6-ethoxy-1,2,4-triazine.

Molecular Properties

Compound Name6-ethoxy-1,2,4-triazine
PubChem CID134989877
Molecular FormulaC5H7N3O
Molecular Weight125.13 g/mol
Exact Mass125.06
IUPAC Name6-ethoxy-1,2,4-triazine
SMILESCCOc1cncnn1
InChIInChI=1S/C5H7N3O/c1-2-9-5-3-6-4-7-8-5/h3-4H,2H2,1H3
InChIKeyOFFDFROUSPUWKW-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 6-ethoxy-1,2,4-triazine?
The IUPAC name of 6-ethoxy-1,2,4-triazine (CID 134989877) is 6-ethoxy-1,2,4-triazine.
What is the SMILES notation for 6-ethoxy-1,2,4-triazine?
The canonical SMILES for 6-ethoxy-1,2,4-triazine is CCOc1cncnn1.
What is the InChIKey of 6-ethoxy-1,2,4-triazine?
The InChIKey is OFFDFROUSPUWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O/c1-2-9-5-3-6-4-7-8-5/h3-4H,2H2,1H3.
What are the key properties of 6-ethoxy-1,2,4-triazine?
6-ethoxy-1,2,4-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 6-ethoxy-1,2,4-triazine is sourced from PubChem (CID 134989877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).