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

C14H17F3IN5 — CID 66695744

IUPAC6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESFC(F)(F)CCNc1cc(NC2CCCC2)nn2c(I)cnc12
InChIInChI=1S/C14H17F3IN5/c15-14(16,17)5-6-19-10-7-12(21-9-3-1-2-4-9)22-23-11(18)8-20-13(10)23/h7-9,19H,1-6H2,(H,21,22)
InChIKeyUUKGWOBKSVBPNL-UHFFFAOYSA-N
MW439.22 g/mol
LogP4.05
Rot. Bonds5

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

6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 66695744) has the molecular formula C14H17F3IN5 and a molecular weight of 439.22 g/mol. Its IUPAC name is 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID66695744
Molecular FormulaC14H17F3IN5
Molecular Weight439.22 g/mol
Exact Mass439.05
IUPAC Name6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESFC(F)(F)CCNc1cc(NC2CCCC2)nn2c(I)cnc12
InChIInChI=1S/C14H17F3IN5/c15-14(16,17)5-6-19-10-7-12(21-9-3-1-2-4-9)22-23-11(18)8-20-13(10)23/h7-9,19H,1-6H2,(H,21,22)
InChIKeyUUKGWOBKSVBPNL-UHFFFAOYSA-N
XLogP4.05
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.22
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine 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 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 66695744) is 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine is FC(F)(F)CCNc1cc(NC2CCCC2)nn2c(I)cnc12.
What is the InChIKey of 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is UUKGWOBKSVBPNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3IN5/c15-14(16,17)5-6-19-10-7-12(21-9-3-1-2-4-9)22-23-11(18)8-20-13(10)23/h7-9,19H,1-6H2,(H,21,22).
What are the key properties of 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 439.22 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-3-iodo-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 66695744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).