3-methoxy-5,6-diphenyl-1,2,4-triazine

C16H13N3O — CID 24063

IUPAC3-methoxy-5,6-diphenyl-1,2,4-triazine
SMILESCOc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O/c1-20-16-17-14(12-8-4-2-5-9-12)15(18-19-16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWIYOPYDPWIXASZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.21
Rot. Bonds3

About 3-methoxy-5,6-diphenyl-1,2,4-triazine

3-methoxy-5,6-diphenyl-1,2,4-triazine (PubChem CID 24063) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-methoxy-5,6-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-methoxy-5,6-diphenyl-1,2,4-triazine
PubChem CID24063
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-methoxy-5,6-diphenyl-1,2,4-triazine
SMILESCOc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C16H13N3O/c1-20-16-17-14(12-8-4-2-5-9-12)15(18-19-16)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyWIYOPYDPWIXASZ-UHFFFAOYSA-N
XLogP3.21
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5,6-diphenyl-1,2,4-triazine?
The IUPAC name of 3-methoxy-5,6-diphenyl-1,2,4-triazine (CID 24063) is 3-methoxy-5,6-diphenyl-1,2,4-triazine.
What is the SMILES notation for 3-methoxy-5,6-diphenyl-1,2,4-triazine?
The canonical SMILES for 3-methoxy-5,6-diphenyl-1,2,4-triazine is COc1nnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 3-methoxy-5,6-diphenyl-1,2,4-triazine?
The InChIKey is WIYOPYDPWIXASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-20-16-17-14(12-8-4-2-5-9-12)15(18-19-16)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of 3-methoxy-5,6-diphenyl-1,2,4-triazine?
3-methoxy-5,6-diphenyl-1,2,4-triazine has a molecular weight of 263.30 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5,6-diphenyl-1,2,4-triazine is sourced from PubChem (CID 24063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).