6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine

C23H15N5O2 — CID 1422604

IUPAC6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
SMILESO=[N+]([O-])c1cccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C23H15N5O2/c29-28(30)19-13-7-12-18(14-19)20-15-27-23(24-20)25-21(16-8-3-1-4-9-16)22(26-27)17-10-5-2-6-11-17/h1-15H
InChIKeyLARFSQLRRJKLFU-UHFFFAOYSA-N
MW393.41 g/mol
LogP5.03
Rot. Bonds4

About 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine

6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine (PubChem CID 1422604) has the molecular formula C23H15N5O2 and a molecular weight of 393.41 g/mol. Its IUPAC name is 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
PubChem CID1422604
Molecular FormulaC23H15N5O2
Molecular Weight393.41 g/mol
Exact Mass393.12
IUPAC Name6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
SMILESO=[N+]([O-])c1cccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c1
InChIInChI=1S/C23H15N5O2/c29-28(30)19-13-7-12-18(14-19)20-15-27-23(24-20)25-21(16-8-3-1-4-9-16)22(26-27)17-10-5-2-6-11-17/h1-15H
InChIKeyLARFSQLRRJKLFU-UHFFFAOYSA-N
XLogP5.03
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine (CID 1422604) is 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine is O=[N+]([O-])c1cccc(-c2cn3nc(-c4ccccc4)c(-c4ccccc4)nc3n2)c1.
What is the InChIKey of 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
The InChIKey is LARFSQLRRJKLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N5O2/c29-28(30)19-13-7-12-18(14-19)20-15-27-23(24-20)25-21(16-8-3-1-4-9-16)22(26-27)17-10-5-2-6-11-17/h1-15H.
What are the key properties of 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine?
6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine has a molecular weight of 393.41 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 1422604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).