3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine

C14H10N4O2 — CID 6199001

IUPAC3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2nnc3ccccn23)c1
InChIInChI=1S/C14H10N4O2/c19-18(20)12-5-3-4-11(10-12)7-8-14-16-15-13-6-1-2-9-17(13)14/h1-10H/b8-7+
InChIKeyZOGNTNSXHJOQAV-BQYQJAHWSA-N
MW266.26 g/mol
LogP2.81
Rot. Bonds3

About 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 6199001) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID6199001
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESO=[N+]([O-])c1cccc(/C=C/c2nnc3ccccn23)c1
InChIInChI=1S/C14H10N4O2/c19-18(20)12-5-3-4-11(10-12)7-8-14-16-15-13-6-1-2-9-17(13)14/h1-10H/b8-7+
InChIKeyZOGNTNSXHJOQAV-BQYQJAHWSA-N
XLogP2.81
TPSA73.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.81
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'}

Analyze 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(E)-2-(3-nitrophenyl)ethenyl]imidazo[1,5-a]pyridine
CID 6080576
1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
1-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]pyrrole
CID 10036726
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
3-(3-nitrophenyl)prop-2-enamide
CID 692292
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397
5-nitro-4-[2-(3-nitrophenyl)ethenyl]-1H-imidazole
CID 135541183
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
4-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 42599951
2-(3-nitrophenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 2760202

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine (CID 6199001) is 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine is O=[N+]([O-])c1cccc(/C=C/c2nnc3ccccn23)c1.
What is the InChIKey of 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is ZOGNTNSXHJOQAV-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H10N4O2/c19-18(20)12-5-3-4-11(10-12)7-8-14-16-15-13-6-1-2-9-17(13)14/h1-10H/b8-7+.
What are the key properties of 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 266.26 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-nitrophenyl)ethenyl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 6199001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).