N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine

C10H12F3N3 — CID 163382634

IUPACN-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3/c1-6(14-7-2-3-7)8-4-5-9(16-15-8)10(11,12)13/h4-7,14H,2-3H2,1H3
InChIKeyVNVYPODRWJOZAJ-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.31
Rot. Bonds3

About N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine

N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine (PubChem CID 163382634) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine
PubChem CID163382634
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine
SMILESCC(NC1CC1)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3/c1-6(14-7-2-3-7)8-4-5-9(16-15-8)10(11,12)13/h4-7,14H,2-3H2,1H3
InChIKeyVNVYPODRWJOZAJ-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine (CID 163382634) is N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine is CC(NC1CC1)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine?
The InChIKey is VNVYPODRWJOZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-6(14-7-2-3-7)8-4-5-9(16-15-8)10(11,12)13/h4-7,14H,2-3H2,1H3.
What are the key properties of N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine?
N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine has a molecular weight of 231.22 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 163382634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).