5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine

C10H5F6N5 — CID 147243129

IUPAC5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
SMILESFC(F)(F)c1cnnc(Nc2cc(C(F)(F)F)cnn2)c1
InChIInChI=1S/C10H5F6N5/c11-9(12,13)5-1-7(20-17-3-5)19-8-2-6(4-18-21-8)10(14,15)16/h1-4H,(H,19,20,21)
InChIKeyCLEAGSMLJNSKPI-UHFFFAOYSA-N
MW309.17 g/mol
LogP3.05
Rot. Bonds2

About 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine

5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine (PubChem CID 147243129) has the molecular formula C10H5F6N5 and a molecular weight of 309.17 g/mol. Its IUPAC name is 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
PubChem CID147243129
Molecular FormulaC10H5F6N5
Molecular Weight309.17 g/mol
Exact Mass309.04
IUPAC Name5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine
SMILESFC(F)(F)c1cnnc(Nc2cc(C(F)(F)F)cnn2)c1
InChIInChI=1S/C10H5F6N5/c11-9(12,13)5-1-7(20-17-3-5)19-8-2-6(4-18-21-8)10(14,15)16/h1-4H,(H,19,20,21)
InChIKeyCLEAGSMLJNSKPI-UHFFFAOYSA-N
XLogP3.05
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The IUPAC name of 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine (CID 147243129) is 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine.
What is the SMILES notation for 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The canonical SMILES for 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine is FC(F)(F)c1cnnc(Nc2cc(C(F)(F)F)cnn2)c1.
What is the InChIKey of 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
The InChIKey is CLEAGSMLJNSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N5/c11-9(12,13)5-1-7(20-17-3-5)19-8-2-6(4-18-21-8)10(14,15)16/h1-4H,(H,19,20,21).
What are the key properties of 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine?
5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine has a molecular weight of 309.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-N-[5-(trifluoromethyl)pyridazin-3-yl]pyridazin-3-amine is sourced from PubChem (CID 147243129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).