[3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine

C12H10F3N3 — CID 118222723

IUPAC[3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
SMILESNCc1cccc(-c2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11-5-4-10(17-18-11)9-3-1-2-8(6-9)7-16/h1-6H,7,16H2
InChIKeyXAJHJJBNUJNYKW-UHFFFAOYSA-N
MW253.23 g/mol
LogP2.62
Rot. Bonds2

About [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine

[3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine (PubChem CID 118222723) has the molecular formula C12H10F3N3 and a molecular weight of 253.23 g/mol. Its IUPAC name is [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
PubChem CID118222723
Molecular FormulaC12H10F3N3
Molecular Weight253.23 g/mol
Exact Mass253.08
IUPAC Name[3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine
SMILESNCc1cccc(-c2ccc(C(F)(F)F)nn2)c1
InChIInChI=1S/C12H10F3N3/c13-12(14,15)11-5-4-10(17-18-11)9-3-1-2-8(6-9)7-16/h1-6H,7,16H2
InChIKeyXAJHJJBNUJNYKW-UHFFFAOYSA-N
XLogP2.62
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
The IUPAC name of [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine (CID 118222723) is [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine.
What is the SMILES notation for [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
The canonical SMILES for [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine is NCc1cccc(-c2ccc(C(F)(F)F)nn2)c1.
What is the InChIKey of [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
The InChIKey is XAJHJJBNUJNYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3/c13-12(14,15)11-5-4-10(17-18-11)9-3-1-2-8(6-9)7-16/h1-6H,7,16H2.
What are the key properties of [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine?
[3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine has a molecular weight of 253.23 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(trifluoromethyl)pyridazin-3-yl]phenyl]methanamine is sourced from PubChem (CID 118222723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).