3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine

C13H12F3N5 — CID 162585337

IUPAC3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine
SMILES[H]/N=C1/C(C(F)(F)F)=CC(=C2C=Cc3nccn3N2)CN1C
InChIInChI=1S/C13H12F3N5/c1-20-7-8(6-9(12(20)17)13(14,15)16)10-2-3-11-18-4-5-21(11)19-10/h2-6,17,19H,7H2,1H3/b10-8?,17-12-
InChIKeyHWZUBMRDLQFXHN-HTWMMOSVSA-N
MW295.27 g/mol
LogP2.12
Rot. Bonds

About 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine

3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine (PubChem CID 162585337) has the molecular formula C13H12F3N5 and a molecular weight of 295.27 g/mol. Its IUPAC name is 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine.

Molecular Properties

Compound Name3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine
PubChem CID162585337
Molecular FormulaC13H12F3N5
Molecular Weight295.27 g/mol
Exact Mass295.10
IUPAC Name3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine
SMILES[H]/N=C1/C(C(F)(F)F)=CC(=C2C=Cc3nccn3N2)CN1C
InChIInChI=1S/C13H12F3N5/c1-20-7-8(6-9(12(20)17)13(14,15)16)10-2-3-11-18-4-5-21(11)19-10/h2-6,17,19H,7H2,1H3/b10-8?,17-12-
InChIKeyHWZUBMRDLQFXHN-HTWMMOSVSA-N
XLogP2.12
TPSA56.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine?
The IUPAC name of 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine (CID 162585337) is 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine.
What is the SMILES notation for 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine?
The canonical SMILES for 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine is [H]/N=C1/C(C(F)(F)F)=CC(=C2C=Cc3nccn3N2)CN1C.
What is the InChIKey of 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine?
The InChIKey is HWZUBMRDLQFXHN-HTWMMOSVSA-N. The full InChI is InChI=1S/C13H12F3N5/c1-20-7-8(6-9(12(20)17)13(14,15)16)10-2-3-11-18-4-5-21(11)19-10/h2-6,17,19H,7H2,1H3/b10-8?,17-12-.
What are the key properties of 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine?
3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine has a molecular weight of 295.27 g/mol, XLogP of 2.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5H-imidazo[1,2-b]pyridazin-6-ylidene)-1-methyl-5-(trifluoromethyl)-2H-pyridin-6-imine is sourced from PubChem (CID 162585337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).