N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C6H6F3N3 — CID 62481008

IUPACN-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESFC(F)(F)CNc1cccnn1
InChIInChI=1S/C6H6F3N3/c7-6(8,9)4-10-5-2-1-3-11-12-5/h1-3H,4H2,(H,10,12)
InChIKeyPBOTZACDSLUWHG-UHFFFAOYSA-N
MW177.13 g/mol
LogP1.45
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)pyridazin-3-amine

N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 62481008) has the molecular formula C6H6F3N3 and a molecular weight of 177.13 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID62481008
Molecular FormulaC6H6F3N3
Molecular Weight177.13 g/mol
Exact Mass177.05
IUPAC NameN-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESFC(F)(F)CNc1cccnn1
InChIInChI=1S/C6H6F3N3/c7-6(8,9)4-10-5-2-1-3-11-12-5/h1-3H,4H2,(H,10,12)
InChIKeyPBOTZACDSLUWHG-UHFFFAOYSA-N
XLogP1.45
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 62481008) is N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)pyridazin-3-amine is FC(F)(F)CNc1cccnn1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is PBOTZACDSLUWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3/c7-6(8,9)4-10-5-2-1-3-11-12-5/h1-3H,4H2,(H,10,12).
What are the key properties of N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 177.13 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 62481008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).