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

C15H10N6 — CID 15395171

IUPAC3-azido-5,6-diphenyl-1,2,4-triazine
SMILES[N-]=[N+]=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C15H10N6/c16-21-20-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H
InChIKeyXQSYSTZYHDEJQJ-UHFFFAOYSA-N
MW274.29 g/mol
LogP4.15
Rot. Bonds3

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

3-azido-5,6-diphenyl-1,2,4-triazine (PubChem CID 15395171) has the molecular formula C15H10N6 and a molecular weight of 274.29 g/mol. Its IUPAC name is 3-azido-5,6-diphenyl-1,2,4-triazine.

Molecular Properties

Compound Name3-azido-5,6-diphenyl-1,2,4-triazine
PubChem CID15395171
Molecular FormulaC15H10N6
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name3-azido-5,6-diphenyl-1,2,4-triazine
SMILES[N-]=[N+]=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C15H10N6/c16-21-20-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H
InChIKeyXQSYSTZYHDEJQJ-UHFFFAOYSA-N
XLogP4.15
TPSA87.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-azido-5,6-diphenyl-1,2,4-triazine?
The IUPAC name of 3-azido-5,6-diphenyl-1,2,4-triazine (CID 15395171) is 3-azido-5,6-diphenyl-1,2,4-triazine.
What is the SMILES notation for 3-azido-5,6-diphenyl-1,2,4-triazine?
The canonical SMILES for 3-azido-5,6-diphenyl-1,2,4-triazine is [N-]=[N+]=Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 3-azido-5,6-diphenyl-1,2,4-triazine?
The InChIKey is XQSYSTZYHDEJQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6/c16-21-20-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 3-azido-5,6-diphenyl-1,2,4-triazine?
3-azido-5,6-diphenyl-1,2,4-triazine has a molecular weight of 274.29 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-5,6-diphenyl-1,2,4-triazine is sourced from PubChem (CID 15395171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).