3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H12FN5O — CID 126457174

IUPAC3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(-c2nnc3ccc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C16H12FN5O/c17-12-5-3-11(4-6-12)16-20-19-15-8-7-14(21-22(15)16)18-10-13-2-1-9-23-13/h1-9H,10H2,(H,18,21)
InChIKeyBWBQTNUCSYDOOO-UHFFFAOYSA-N
MW309.30 g/mol
LogP3.14
Rot. Bonds4

About 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 126457174) has the molecular formula C16H12FN5O and a molecular weight of 309.30 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID126457174
Molecular FormulaC16H12FN5O
Molecular Weight309.30 g/mol
Exact Mass309.10
IUPAC Name3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFc1ccc(-c2nnc3ccc(NCc4ccco4)nn23)cc1
InChIInChI=1S/C16H12FN5O/c17-12-5-3-11(4-6-12)16-20-19-15-8-7-14(21-22(15)16)18-10-13-2-1-9-23-13/h1-9H,10H2,(H,18,21)
InChIKeyBWBQTNUCSYDOOO-UHFFFAOYSA-N
XLogP3.14
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.30
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[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 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 126457174) is 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Fc1ccc(-c2nnc3ccc(NCc4ccco4)nn23)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is BWBQTNUCSYDOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5O/c17-12-5-3-11(4-6-12)16-20-19-15-8-7-14(21-22(15)16)18-10-13-2-1-9-23-13/h1-9H,10H2,(H,18,21).
What are the key properties of 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 309.30 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 126457174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).