N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C12H14F3N5 — CID 104938275

IUPACN-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCC1
InChIInChI=1S/C12H14F3N5/c1-2-11(6-3-7-11)16-8-4-5-9-17-18-10(12(13,14)15)20(9)19-8/h4-5H,2-3,6-7H2,1H3,(H,16,19)
InChIKeyQMIXTKKNOLHBFG-UHFFFAOYSA-N
MW285.27 g/mol
LogP2.89
Rot. Bonds3

About N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 104938275) has the molecular formula C12H14F3N5 and a molecular weight of 285.27 g/mol. Its IUPAC name is N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID104938275
Molecular FormulaC12H14F3N5
Molecular Weight285.27 g/mol
Exact Mass285.12
IUPAC NameN-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCC1
InChIInChI=1S/C12H14F3N5/c1-2-11(6-3-7-11)16-8-4-5-9-17-18-10(12(13,14)15)20(9)19-8/h4-5H,2-3,6-7H2,1H3,(H,16,19)
InChIKeyQMIXTKKNOLHBFG-UHFFFAOYSA-N
XLogP2.89
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

[1-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]cyclobutyl]methanol
CID 103792112
N-[1-(aminomethyl)cyclopentyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950612
3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106214849
N-[(1-methylsulfanylcyclobutyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 107268757
2-ethyl-2-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950611
N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 106950542
2-ethyl-1-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]butane-1,2-diamine
CID 106950640
N-cyclopropyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 29131460
N-[(1-methylsulfonylcyclopropyl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 146127734
N',N'-diethyl-N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethane-1,2-diamine
CID 35870058
N-(1-ethylcyclobutyl)-5-(trifluoromethyl)pyridin-2-amine
CID 113488892
N-(4,4,4-trifluorobutan-2-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 104854594

Frequently Asked Questions

What is the IUPAC name of N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 104938275) is N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCC1(Nc2ccc3nnc(C(F)(F)F)n3n2)CCC1.
What is the InChIKey of N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is QMIXTKKNOLHBFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5/c1-2-11(6-3-7-11)16-8-4-5-9-17-18-10(12(13,14)15)20(9)19-8/h4-5H,2-3,6-7H2,1H3,(H,16,19).
What are the key properties of N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 285.27 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylcyclobutyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 104938275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).