3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine

C10H10F3N5O3 — CID 133433497

IUPAC3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCCOCC(F)(F)F)nn12
InChIInChI=1S/C10H10F3N5O3/c11-10(12,13)6-21-4-3-14-7-1-2-8-15-5-9(18(19)20)17(8)16-7/h1-2,5H,3-4,6H2,(H,14,16)
InChIKeyPAAYHNRWHYAMBK-UHFFFAOYSA-N
MW305.22 g/mol
LogP1.63
Rot. Bonds6

About 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine

3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 133433497) has the molecular formula C10H10F3N5O3 and a molecular weight of 305.22 g/mol. Its IUPAC name is 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID133433497
Molecular FormulaC10H10F3N5O3
Molecular Weight305.22 g/mol
Exact Mass305.07
IUPAC Name3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine
SMILESO=[N+]([O-])c1cnc2ccc(NCCOCC(F)(F)F)nn12
InChIInChI=1S/C10H10F3N5O3/c11-10(12,13)6-21-4-3-14-7-1-2-8-15-5-9(18(19)20)17(8)16-7/h1-2,5H,3-4,6H2,(H,14,16)
InChIKeyPAAYHNRWHYAMBK-UHFFFAOYSA-N
XLogP1.63
TPSA94.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.22
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine (CID 133433497) is 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine is O=[N+]([O-])c1cnc2ccc(NCCOCC(F)(F)F)nn12.
What is the InChIKey of 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PAAYHNRWHYAMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N5O3/c11-10(12,13)6-21-4-3-14-7-1-2-8-15-5-9(18(19)20)17(8)16-7/h1-2,5H,3-4,6H2,(H,14,16).
What are the key properties of 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine?
3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 305.22 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-[2-(2,2,2-trifluoroethoxy)ethyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 133433497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).