N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine

C22H18FN7 — CID 133309787

IUPACN'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
SMILESFc1ccccc1-c1nnc2ccc(NCCNc3ccc4ccccc4n3)nn12
InChIInChI=1S/C22H18FN7/c23-17-7-3-2-6-16(17)22-28-27-21-12-11-20(29-30(21)22)25-14-13-24-19-10-9-15-5-1-4-8-18(15)26-19/h1-12H,13-14H2,(H,24,26)(H,25,29)
InChIKeyZWXIAQDNUFUXTB-UHFFFAOYSA-N
MW399.43 g/mol
LogP4.00
Rot. Bonds6

About N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine

N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine (PubChem CID 133309787) has the molecular formula C22H18FN7 and a molecular weight of 399.43 g/mol. Its IUPAC name is N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
PubChem CID133309787
Molecular FormulaC22H18FN7
Molecular Weight399.43 g/mol
Exact Mass399.16
IUPAC NameN'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
SMILESFc1ccccc1-c1nnc2ccc(NCCNc3ccc4ccccc4n3)nn12
InChIInChI=1S/C22H18FN7/c23-17-7-3-2-6-16(17)22-28-27-21-12-11-20(29-30(21)22)25-14-13-24-19-10-9-15-5-1-4-8-18(15)26-19/h1-12H,13-14H2,(H,24,26)(H,25,29)
InChIKeyZWXIAQDNUFUXTB-UHFFFAOYSA-N
XLogP4.00
TPSA80.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine 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-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 75477278
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 52744781
N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 126768636
1-N-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-N-phenylpropane-1,2-diamine
CID 133429685
3-(2-fluorophenyl)-N-[2-[(1S,2S)-2-methylcyclohexyl]oxyethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 95153932
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 47072300
3-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 133354947
3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133439655
3-(2-fluorophenyl)-N-[(2-phenyloxolan-3-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133353323
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777

Frequently Asked Questions

What is the IUPAC name of N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine?
The IUPAC name of N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine (CID 133309787) is N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine?
The canonical SMILES for N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine is Fc1ccccc1-c1nnc2ccc(NCCNc3ccc4ccccc4n3)nn12.
What is the InChIKey of N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine?
The InChIKey is ZWXIAQDNUFUXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN7/c23-17-7-3-2-6-16(17)22-28-27-21-12-11-20(29-30(21)22)25-14-13-24-19-10-9-15-5-1-4-8-18(15)26-19/h1-12H,13-14H2,(H,24,26)(H,25,29).
What are the key properties of N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine?
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine has a molecular weight of 399.43 g/mol, XLogP of 4.00, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine is sourced from PubChem (CID 133309787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).