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

C11H7N5O2 — CID 126571916

IUPAC3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine
SMILESO=[N+]([O-])c1cccc(-c2cnn3ccnc3n2)c1
InChIInChI=1S/C11H7N5O2/c17-16(18)9-3-1-2-8(6-9)10-7-13-15-5-4-12-11(15)14-10/h1-7H
InChIKeyQLINFLGPBVXFFG-UHFFFAOYSA-N
MW241.21 g/mol
LogP1.70
Rot. Bonds2

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

3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine (PubChem CID 126571916) has the molecular formula C11H7N5O2 and a molecular weight of 241.21 g/mol. Its IUPAC name is 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine.

Molecular Properties

Compound Name3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine
PubChem CID126571916
Molecular FormulaC11H7N5O2
Molecular Weight241.21 g/mol
Exact Mass241.06
IUPAC Name3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine
SMILESO=[N+]([O-])c1cccc(-c2cnn3ccnc3n2)c1
InChIInChI=1S/C11H7N5O2/c17-16(18)9-3-1-2-8(6-9)10-7-13-15-5-4-12-11(15)14-10/h1-7H
InChIKeyQLINFLGPBVXFFG-UHFFFAOYSA-N
XLogP1.70
TPSA86.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 51.70
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 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine?
The IUPAC name of 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine (CID 126571916) is 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine.
What is the SMILES notation for 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine?
The canonical SMILES for 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine is O=[N+]([O-])c1cccc(-c2cnn3ccnc3n2)c1.
What is the InChIKey of 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine?
The InChIKey is QLINFLGPBVXFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2/c17-16(18)9-3-1-2-8(6-9)10-7-13-15-5-4-12-11(15)14-10/h1-7H.
What are the key properties of 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine?
3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine has a molecular weight of 241.21 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-nitrophenyl)imidazo[1,2-b][1,2,4]triazine is sourced from PubChem (CID 126571916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).