3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H16FN7 — CID 75477278

IUPAC3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cncc1CCNc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C17H16FN7/c1-24-11-19-10-12(24)8-9-20-15-6-7-16-21-22-17(25(16)23-15)13-4-2-3-5-14(13)18/h2-7,10-11H,8-9H2,1H3,(H,20,23)
InChIKeyGQXHZMAQEIGERU-UHFFFAOYSA-N
MW337.36 g/mol
LogP2.32
Rot. Bonds5

About 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 75477278) has the molecular formula C17H16FN7 and a molecular weight of 337.36 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID75477278
Molecular FormulaC17H16FN7
Molecular Weight337.36 g/mol
Exact Mass337.15
IUPAC Name3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCn1cncc1CCNc1ccc2nnc(-c3ccccc3F)n2n1
InChIInChI=1S/C17H16FN7/c1-24-11-19-10-12(24)8-9-20-15-6-7-16-21-22-17(25(16)23-15)13-4-2-3-5-14(13)18/h2-7,10-11H,8-9H2,1H3,(H,20,23)
InChIKeyGQXHZMAQEIGERU-UHFFFAOYSA-N
XLogP2.32
TPSA72.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 75477278) is 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cn1cncc1CCNc1ccc2nnc(-c3ccccc3F)n2n1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is GQXHZMAQEIGERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7/c1-24-11-19-10-12(24)8-9-20-15-6-7-16-21-22-17(25(16)23-15)13-4-2-3-5-14(13)18/h2-7,10-11H,8-9H2,1H3,(H,20,23).
What are the key properties of 3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(2-fluorophenyl)-N-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 337.36 g/mol, XLogP of 2.32, 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-[2-(3-methylimidazol-4-yl)ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 75477278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).