N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

C10H11ClF3N3 — CID 104513662

IUPACN-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C10H11ClF3N3/c11-9-4-1-7(15-16-9)5-17(8-2-3-8)6-10(12,13)14/h1,4,8H,2-3,5-6H2
InChIKeyVWVYGULYHWLZOY-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.66
Rot. Bonds4

About N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine

N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (PubChem CID 104513662) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
PubChem CID104513662
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC NameN-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
SMILESFC(F)(F)CN(Cc1ccc(Cl)nn1)C1CC1
InChIInChI=1S/C10H11ClF3N3/c11-9-4-1-7(15-16-9)5-17(8-2-3-8)6-10(12,13)14/h1,4,8H,2-3,5-6H2
InChIKeyVWVYGULYHWLZOY-UHFFFAOYSA-N
XLogP2.66
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The IUPAC name of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine (CID 104513662) is N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine.
What is the SMILES notation for N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The canonical SMILES for N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is FC(F)(F)CN(Cc1ccc(Cl)nn1)C1CC1.
What is the InChIKey of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
The InChIKey is VWVYGULYHWLZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-9-4-1-7(15-16-9)5-17(8-2-3-8)6-10(12,13)14/h1,4,8H,2-3,5-6H2.
What are the key properties of N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine?
N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine has a molecular weight of 265.67 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloropyridazin-3-yl)methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine is sourced from PubChem (CID 104513662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).