N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C24H26FN7 — CID 20877996

IUPACN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1N1CCN(CCCNc2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C24H26FN7/c25-20-9-4-5-10-21(20)31-17-15-30(16-18-31)14-6-13-26-22-11-12-23-27-28-24(32(23)29-22)19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2,(H,26,29)
InChIKeyVNGCGBZFHBDLPN-UHFFFAOYSA-N
MW431.52 g/mol
LogP3.55
Rot. Bonds7

About N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 20877996) has the molecular formula C24H26FN7 and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID20877996
Molecular FormulaC24H26FN7
Molecular Weight431.52 g/mol
Exact Mass431.22
IUPAC NameN-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccccc1N1CCN(CCCNc2ccc3nnc(-c4ccccc4)n3n2)CC1
InChIInChI=1S/C24H26FN7/c25-20-9-4-5-10-21(20)31-17-15-30(16-18-31)14-6-13-26-22-11-12-23-27-28-24(32(23)29-22)19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2,(H,26,29)
InChIKeyVNGCGBZFHBDLPN-UHFFFAOYSA-N
XLogP3.55
TPSA61.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine 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 N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 20877996) is N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccccc1N1CCN(CCCNc2ccc3nnc(-c4ccccc4)n3n2)CC1.
What is the InChIKey of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is VNGCGBZFHBDLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN7/c25-20-9-4-5-10-21(20)31-17-15-30(16-18-31)14-6-13-26-22-11-12-23-27-28-24(32(23)29-22)19-7-2-1-3-8-19/h1-5,7-12H,6,13-18H2,(H,26,29).
What are the key properties of N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 431.52 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2-fluorophenyl)piperazin-1-yl]propyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 20877996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).