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

C14H18F3N5 — CID 66695746

IUPAC6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESFC(F)(F)CCNc1cc(NC2CCCC2)nn2ccnc12
InChIInChI=1S/C14H18F3N5/c15-14(16,17)5-6-18-11-9-12(20-10-3-1-2-4-10)21-22-8-7-19-13(11)22/h7-10,18H,1-6H2,(H,20,21)
InChIKeyKZRPSRLTZLWMEA-UHFFFAOYSA-N
MW313.33 g/mol
LogP3.45
Rot. Bonds5

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

6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine (PubChem CID 66695746) has the molecular formula C14H18F3N5 and a molecular weight of 313.33 g/mol. Its IUPAC name is 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine.

Molecular Properties

Compound Name6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
PubChem CID66695746
Molecular FormulaC14H18F3N5
Molecular Weight313.33 g/mol
Exact Mass313.15
IUPAC Name6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine
SMILESFC(F)(F)CCNc1cc(NC2CCCC2)nn2ccnc12
InChIInChI=1S/C14H18F3N5/c15-14(16,17)5-6-18-11-9-12(20-10-3-1-2-4-10)21-22-8-7-19-13(11)22/h7-10,18H,1-6H2,(H,20,21)
InChIKeyKZRPSRLTZLWMEA-UHFFFAOYSA-N
XLogP3.45
TPSA54.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 53.45
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-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The IUPAC name of 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine (CID 66695746) is 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine.
What is the SMILES notation for 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The canonical SMILES for 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine is FC(F)(F)CCNc1cc(NC2CCCC2)nn2ccnc12.
What is the InChIKey of 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
The InChIKey is KZRPSRLTZLWMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5/c15-14(16,17)5-6-18-11-9-12(20-10-3-1-2-4-10)21-22-8-7-19-13(11)22/h7-10,18H,1-6H2,(H,20,21).
What are the key properties of 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine?
6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine has a molecular weight of 313.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclopentyl-8-N-(3,3,3-trifluoropropyl)imidazo[1,2-b]pyridazine-6,8-diamine is sourced from PubChem (CID 66695746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).