3-ethoxy-5-phenyl-1,2,4-triazine

C11H11N3O — CID 3053028

IUPAC3-ethoxy-5-phenyl-1,2,4-triazine
SMILESCCOc1nncc(-c2ccccc2)n1
InChIInChI=1S/C11H11N3O/c1-2-15-11-13-10(8-12-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyNPVKLMWFLRCRFP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.94
Rot. Bonds3

About 3-ethoxy-5-phenyl-1,2,4-triazine

3-ethoxy-5-phenyl-1,2,4-triazine (PubChem CID 3053028) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-ethoxy-5-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-ethoxy-5-phenyl-1,2,4-triazine
PubChem CID3053028
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name3-ethoxy-5-phenyl-1,2,4-triazine
SMILESCCOc1nncc(-c2ccccc2)n1
InChIInChI=1S/C11H11N3O/c1-2-15-11-13-10(8-12-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3
InChIKeyNPVKLMWFLRCRFP-UHFFFAOYSA-N
XLogP1.94
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-phenyl-1,2,4-triazine?
The IUPAC name of 3-ethoxy-5-phenyl-1,2,4-triazine (CID 3053028) is 3-ethoxy-5-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-ethoxy-5-phenyl-1,2,4-triazine?
The canonical SMILES for 3-ethoxy-5-phenyl-1,2,4-triazine is CCOc1nncc(-c2ccccc2)n1.
What is the InChIKey of 3-ethoxy-5-phenyl-1,2,4-triazine?
The InChIKey is NPVKLMWFLRCRFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-15-11-13-10(8-12-14-11)9-6-4-3-5-7-9/h3-8H,2H2,1H3.
What are the key properties of 3-ethoxy-5-phenyl-1,2,4-triazine?
3-ethoxy-5-phenyl-1,2,4-triazine has a molecular weight of 201.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-phenyl-1,2,4-triazine is sourced from PubChem (CID 3053028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).