5-(trifluoromethyl)pyridazin-4-amine

C5H4F3N3 — CID 117127362

IUPAC5-(trifluoromethyl)pyridazin-4-amine
SMILESNc1cnncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3/c6-5(7,8)3-1-10-11-2-4(3)9/h1-2H,(H2,9,10)
InChIKeyJJELSJLZXQGKTK-UHFFFAOYSA-N
MW163.10 g/mol
LogP1.08
Rot. Bonds

About 5-(trifluoromethyl)pyridazin-4-amine

5-(trifluoromethyl)pyridazin-4-amine (PubChem CID 117127362) has the molecular formula C5H4F3N3 and a molecular weight of 163.10 g/mol. Its IUPAC name is 5-(trifluoromethyl)pyridazin-4-amine.

Molecular Properties

Compound Name5-(trifluoromethyl)pyridazin-4-amine
PubChem CID117127362
Molecular FormulaC5H4F3N3
Molecular Weight163.10 g/mol
Exact Mass163.04
IUPAC Name5-(trifluoromethyl)pyridazin-4-amine
SMILESNc1cnncc1C(F)(F)F
InChIInChI=1S/C5H4F3N3/c6-5(7,8)3-1-10-11-2-4(3)9/h1-2H,(H2,9,10)
InChIKeyJJELSJLZXQGKTK-UHFFFAOYSA-N
XLogP1.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.10
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Methylpyridazin-4-amine
CID 55291341
6-Fluoropyridazin-4-amine
CID 165653078
Pyridazine-4,5-diamine
CID 14219879
3-Fluoropyridazin-4-amine
CID 67258976
6-Chloro-5-(trifluoromethyl)pyridazin-4-amine
CID 147011369
3-Chloro-5-(trifluoromethyl)pyridazin-4-amine
CID 117127364
5-(Trifluoromethyl)pyridazine-3,4-diamine
CID 160466091
5-(Trifluoromethyl)pyridazin-4-amine hydrochloride
CID 170907315
5-Aminopyridazine-4-carbonitrile
CID 84647767
4-Methanimidoylpyridazine-3,5-diamine
CID 89356151
5-Methanimidoylpyridazin-4-amine
CID 89376035
Pyridazine-4,5-diamine;hydrochloride
CID 90303423

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)pyridazin-4-amine?
The IUPAC name of 5-(trifluoromethyl)pyridazin-4-amine (CID 117127362) is 5-(trifluoromethyl)pyridazin-4-amine.
What is the SMILES notation for 5-(trifluoromethyl)pyridazin-4-amine?
The canonical SMILES for 5-(trifluoromethyl)pyridazin-4-amine is Nc1cnncc1C(F)(F)F.
What is the InChIKey of 5-(trifluoromethyl)pyridazin-4-amine?
The InChIKey is JJELSJLZXQGKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3/c6-5(7,8)3-1-10-11-2-4(3)9/h1-2H,(H2,9,10).
What are the key properties of 5-(trifluoromethyl)pyridazin-4-amine?
5-(trifluoromethyl)pyridazin-4-amine has a molecular weight of 163.10 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)pyridazin-4-amine is sourced from PubChem (CID 117127362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).