N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine

C11H14F3N3O — CID 66276175

IUPACN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCC(Oc1ccc(CNC2CC2)nn1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(11(12,13)14)18-10-5-4-9(16-17-10)6-15-8-2-3-8/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyVTMPJAXSBBFVGP-UHFFFAOYSA-N
MW261.25 g/mol
LogP2.06
Rot. Bonds5

About N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine

N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine (PubChem CID 66276175) has the molecular formula C11H14F3N3O and a molecular weight of 261.25 g/mol. Its IUPAC name is N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine
PubChem CID66276175
Molecular FormulaC11H14F3N3O
Molecular Weight261.25 g/mol
Exact Mass261.11
IUPAC NameN-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine
SMILESCC(Oc1ccc(CNC2CC2)nn1)C(F)(F)F
InChIInChI=1S/C11H14F3N3O/c1-7(11(12,13)14)18-10-5-4-9(16-17-10)6-15-8-2-3-8/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyVTMPJAXSBBFVGP-UHFFFAOYSA-N
XLogP2.06
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467741
N-[(6-octan-2-yloxypyridazin-3-yl)methyl]cyclopropanamine
CID 62291480
N-[[6-(4-methylcyclohexyl)oxypyridazin-3-yl]methyl]cyclopropanamine
CID 62290303
N-[[6-(4-methoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62323240
N-[[4-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114217177
N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 63647201
N-[[6-(3-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297853
N-[[6-(4-bromo-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 107725866
N-[[6-(4-chloro-3,5-dimethylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62322068
N-[[5-chloro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 66275528
N-[[6-(2-methoxy-4-methylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62297563
N-[[6-(3-ethoxyphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 62336369

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine (CID 66276175) is N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine is CC(Oc1ccc(CNC2CC2)nn1)C(F)(F)F.
What is the InChIKey of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine?
The InChIKey is VTMPJAXSBBFVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O/c1-7(11(12,13)14)18-10-5-4-9(16-17-10)6-15-8-2-3-8/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine?
N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine has a molecular weight of 261.25 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1,1-trifluoropropan-2-yloxy)pyridazin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66276175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).