6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine

C15H14N4O2 — CID 824254

IUPAC6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine
SMILESO=[N+]([O-])C1=NN(c2ccccc2)CN(c2ccccc2)C1
InChIInChI=1S/C15H14N4O2/c20-19(21)15-11-17(13-7-3-1-4-8-13)12-18(16-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeySQESQOLWRSGLQR-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.56
Rot. Bonds2

About 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine

6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine (PubChem CID 824254) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine.

Molecular Properties

Compound Name6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine
PubChem CID824254
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine
SMILESO=[N+]([O-])C1=NN(c2ccccc2)CN(c2ccccc2)C1
InChIInChI=1S/C15H14N4O2/c20-19(21)15-11-17(13-7-3-1-4-8-13)12-18(16-15)14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeySQESQOLWRSGLQR-UHFFFAOYSA-N
XLogP2.56
TPSA61.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine?
The IUPAC name of 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine (CID 824254) is 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine.
What is the SMILES notation for 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine?
The canonical SMILES for 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine is O=[N+]([O-])C1=NN(c2ccccc2)CN(c2ccccc2)C1.
What is the InChIKey of 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine?
The InChIKey is SQESQOLWRSGLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c20-19(21)15-11-17(13-7-3-1-4-8-13)12-18(16-15)14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine?
6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine has a molecular weight of 282.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-2,4-diphenyl-3,5-dihydro-1,2,4-triazine is sourced from PubChem (CID 824254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).