5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine

C15H12N4O — CID 6405145

IUPAC5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
SMILESCOc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C15H12N4O/c1-20-15-13(11-7-3-2-4-8-11)18-19-14(17-15)12-9-5-6-10-16-12/h2-10H,1H3
InChIKeyVOLSUERHGVIZIE-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.61
Rot. Bonds3

About 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine

5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine (PubChem CID 6405145) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine.

Molecular Properties

Compound Name5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
PubChem CID6405145
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
SMILESCOc1nc(-c2ccccn2)nnc1-c1ccccc1
InChIInChI=1S/C15H12N4O/c1-20-15-13(11-7-3-2-4-8-11)18-19-14(17-15)12-9-5-6-10-16-12/h2-10H,1H3
InChIKeyVOLSUERHGVIZIE-UHFFFAOYSA-N
XLogP2.61
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
The IUPAC name of 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine (CID 6405145) is 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine.
What is the SMILES notation for 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
The canonical SMILES for 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine is COc1nc(-c2ccccn2)nnc1-c1ccccc1.
What is the InChIKey of 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
The InChIKey is VOLSUERHGVIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-20-15-13(11-7-3-2-4-8-11)18-19-14(17-15)12-9-5-6-10-16-12/h2-10H,1H3.
What are the key properties of 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine?
5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine has a molecular weight of 264.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-phenyl-3-pyridin-2-yl-1,2,4-triazine is sourced from PubChem (CID 6405145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).