N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide

C20H17FN6O — CID 47072300

IUPACN-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESO=C(CNc1ccc2nnc(-c3ccccc3F)n2n1)NCc1ccccc1
InChIInChI=1S/C20H17FN6O/c21-16-9-5-4-8-15(16)20-25-24-18-11-10-17(26-27(18)20)22-13-19(28)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,26)(H,23,28)
InChIKeyNLHOVAGJUREASK-UHFFFAOYSA-N
MW376.40 g/mol
LogP2.66
Rot. Bonds6

About N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide

N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (PubChem CID 47072300) has the molecular formula C20H17FN6O and a molecular weight of 376.40 g/mol. Its IUPAC name is N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
PubChem CID47072300
Molecular FormulaC20H17FN6O
Molecular Weight376.40 g/mol
Exact Mass376.14
IUPAC NameN-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
SMILESO=C(CNc1ccc2nnc(-c3ccccc3F)n2n1)NCc1ccccc1
InChIInChI=1S/C20H17FN6O/c21-16-9-5-4-8-15(16)20-25-24-18-11-10-17(26-27(18)20)22-13-19(28)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,26)(H,23,28)
InChIKeyNLHOVAGJUREASK-UHFFFAOYSA-N
XLogP2.66
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide 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

N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
N-[2-(4-benzylpiperazin-1-yl)ethyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 52744781
3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133332673
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-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
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
CID 133309787
2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-3-methylpentanamide
CID 133443774
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185
3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 47072288
5-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-4-phenylpentan-2-ol
CID 133430213
[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclopentyl]methanol
CID 133429502

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The IUPAC name of N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide (CID 47072300) is N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide.
What is the SMILES notation for N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The canonical SMILES for N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is O=C(CNc1ccc2nnc(-c3ccccc3F)n2n1)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
The InChIKey is NLHOVAGJUREASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O/c21-16-9-5-4-8-15(16)20-25-24-18-11-10-17(26-27(18)20)22-13-19(28)23-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,22,26)(H,23,28).
What are the key properties of N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide?
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide has a molecular weight of 376.40 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide is sourced from PubChem (CID 47072300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).