6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C9H6ClN7O2 — CID 21456014

IUPAC6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1c(-c2nnc3ccc(Cl)nn23)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H6ClN7O2/c1-15-5(4-11-9(15)17(18)19)8-13-12-7-3-2-6(10)14-16(7)8/h2-4H,1H3
InChIKeyUMJIGOGJVSPYFV-UHFFFAOYSA-N
MW279.65 g/mol
LogP1.09
Rot. Bonds2

About 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 21456014) has the molecular formula C9H6ClN7O2 and a molecular weight of 279.65 g/mol. Its IUPAC name is 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID21456014
Molecular FormulaC9H6ClN7O2
Molecular Weight279.65 g/mol
Exact Mass279.03
IUPAC Name6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCn1c(-c2nnc3ccc(Cl)nn23)cnc1[N+](=O)[O-]
InChIInChI=1S/C9H6ClN7O2/c1-15-5(4-11-9(15)17(18)19)8-13-12-7-3-2-6(10)14-16(7)8/h2-4H,1H3
InChIKeyUMJIGOGJVSPYFV-UHFFFAOYSA-N
XLogP1.09
TPSA104.04 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.65
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 21456014) is 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is Cn1c(-c2nnc3ccc(Cl)nn23)cnc1[N+](=O)[O-].
What is the InChIKey of 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is UMJIGOGJVSPYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN7O2/c1-15-5(4-11-9(15)17(18)19)8-13-12-7-3-2-6(10)14-16(7)8/h2-4H,1H3.
What are the key properties of 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 279.65 g/mol, XLogP of 1.09, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3-methyl-2-nitroimidazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 21456014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).