3-phenyl-1,2,4-triazine

C18H14N6 — CID 71236553

IUPAC3-phenyl-1,2,4-triazine
SMILESc1ccc(-c2nccnn2)cc1.c1ccc(-c2nccnn2)cc1
InChIInChI=1S/2C9H7N3/c2*1-2-4-8(5-3-1)9-10-6-7-11-12-9/h2*1-7H
InChIKeyGIYPQGPYTXSFSG-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.08
Rot. Bonds2

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

3-phenyl-1,2,4-triazine (PubChem CID 71236553) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 3-phenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-phenyl-1,2,4-triazine
PubChem CID71236553
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name3-phenyl-1,2,4-triazine
SMILESc1ccc(-c2nccnn2)cc1.c1ccc(-c2nccnn2)cc1
InChIInChI=1S/2C9H7N3/c2*1-2-4-8(5-3-1)9-10-6-7-11-12-9/h2*1-7H
InChIKeyGIYPQGPYTXSFSG-UHFFFAOYSA-N
XLogP3.08
TPSA77.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1,2,4-triazine?
The IUPAC name of 3-phenyl-1,2,4-triazine (CID 71236553) is 3-phenyl-1,2,4-triazine.
What is the SMILES notation for 3-phenyl-1,2,4-triazine?
The canonical SMILES for 3-phenyl-1,2,4-triazine is c1ccc(-c2nccnn2)cc1.c1ccc(-c2nccnn2)cc1.
What is the InChIKey of 3-phenyl-1,2,4-triazine?
The InChIKey is GIYPQGPYTXSFSG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7N3/c2*1-2-4-8(5-3-1)9-10-6-7-11-12-9/h2*1-7H.
What are the key properties of 3-phenyl-1,2,4-triazine?
3-phenyl-1,2,4-triazine has a molecular weight of 314.35 g/mol, XLogP of 3.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1,2,4-triazine is sourced from PubChem (CID 71236553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).