3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H15FN6O — CID 47072288

IUPAC3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3nnc(-c4ccccc4F)n3n2)cn1
InChIInChI=1S/C18H15FN6O/c1-26-17-9-6-12(11-21-17)10-20-15-7-8-16-22-23-18(25(16)24-15)13-4-2-3-5-14(13)19/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyLKQFDYBEVGESHD-UHFFFAOYSA-N
MW350.36 g/mol
LogP2.95
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 47072288) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID47072288
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCOc1ccc(CNc2ccc3nnc(-c4ccccc4F)n3n2)cn1
InChIInChI=1S/C18H15FN6O/c1-26-17-9-6-12(11-21-17)10-20-15-7-8-16-22-23-18(25(16)24-15)13-4-2-3-5-14(13)19/h2-9,11H,10H2,1H3,(H,20,24)
InChIKeyLKQFDYBEVGESHD-UHFFFAOYSA-N
XLogP2.95
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-[[4-(difluoromethyl)phenyl]methyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133474592
3-(2-fluorophenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133332673
3-(2-fluorophenyl)-N-[[2-(oxolan-3-yloxy)-4-pyridinyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133415592
3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 75477278
N-[4-(ethoxymethyl)phenyl]-3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133428327
N-benzyl-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]acetamide
CID 47072300
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
3-(2-fluorophenyl)-N-[(2-piperidin-1-ylphenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133439655
N'-[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-N-quinolin-2-ylethane-1,2-diamine
CID 133309787
(2S)-2-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]butan-1-ol
CID 133434777
N-[1-[[3-(2-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2-methylpropan-2-yl]methanesulfonamide
CID 133296185

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 47072288) is 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is COc1ccc(CNc2ccc3nnc(-c4ccccc4F)n3n2)cn1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is LKQFDYBEVGESHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-26-17-9-6-12(11-21-17)10-20-15-7-8-16-22-23-18(25(16)24-15)13-4-2-3-5-14(13)19/h2-9,11H,10H2,1H3,(H,20,24).
What are the key properties of 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 350.36 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[(6-methoxy-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 47072288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).