6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine

C15H13F4N5 — CID 141434378

IUPAC6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESFc1ccc(Nc2cc(NCCC(F)(F)F)c3nccn3n2)cc1
InChIInChI=1S/C15H13F4N5/c16-10-1-3-11(4-2-10)22-13-9-12(20-6-5-15(17,18)19)14-21-7-8-24(14)23-13/h1-4,7-9,20H,5-6H2,(H,22,23)
InChIKeyMPZKDMYDIOFCKV-UHFFFAOYSA-N
MW339.30 g/mol
LogP3.98
Rot. Bonds5

About 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine

6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 141434378) has the molecular formula C15H13F4N5 and a molecular weight of 339.30 g/mol. Its IUPAC name is 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID141434378
Molecular FormulaC15H13F4N5
Molecular Weight339.30 g/mol
Exact Mass339.11
IUPAC Name6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESFc1ccc(Nc2cc(NCCC(F)(F)F)c3nccn3n2)cc1
InChIInChI=1S/C15H13F4N5/c16-10-1-3-11(4-2-10)22-13-9-12(20-6-5-15(17,18)19)14-21-7-8-24(14)23-13/h1-4,7-9,20H,5-6H2,(H,22,23)
InChIKeyMPZKDMYDIOFCKV-UHFFFAOYSA-N
XLogP3.98
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.30
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 141434378) is 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine is Fc1ccc(Nc2cc(NCCC(F)(F)F)c3nccn3n2)cc1.
What is the InChIKey of 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is MPZKDMYDIOFCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5/c16-10-1-3-11(4-2-10)22-13-9-12(20-6-5-15(17,18)19)14-21-7-8-24(14)23-13/h1-4,7-9,20H,5-6H2,(H,22,23).
What are the key properties of 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 339.30 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-fluorophenyl)-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 141434378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).