N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine

C10H12F3N3 — CID 163382825

IUPACN-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine
SMILESFC(F)(F)c1ccc(CNC2CCC2)nn1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-5-4-8(15-16-9)6-14-7-2-1-3-7/h4-5,7,14H,1-3,6H2
InChIKeyVLIVNXVZXSJDLI-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.14
Rot. Bonds3

About N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine

N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine (PubChem CID 163382825) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine
PubChem CID163382825
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine
SMILESFC(F)(F)c1ccc(CNC2CCC2)nn1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)9-5-4-8(15-16-9)6-14-7-2-1-3-7/h4-5,7,14H,1-3,6H2
InChIKeyVLIVNXVZXSJDLI-UHFFFAOYSA-N
XLogP2.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine (CID 163382825) is N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine is FC(F)(F)c1ccc(CNC2CCC2)nn1.
What is the InChIKey of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine?
The InChIKey is VLIVNXVZXSJDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)9-5-4-8(15-16-9)6-14-7-2-1-3-7/h4-5,7,14H,1-3,6H2.
What are the key properties of N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine?
N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine has a molecular weight of 231.22 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]cyclobutanamine is sourced from PubChem (CID 163382825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).