1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride

C7H9ClF3N3 — CID 138110357

IUPAC1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(C(F)(F)F)nn1.Cl
InChIInChI=1S/C7H8F3N3.ClH/c1-4(11)5-2-3-6(13-12-5)7(8,9)10;/h2-4H,11H2,1H3;1H
InChIKeyITHVBSRLVAHKFR-UHFFFAOYSA-N
MW227.62 g/mol
LogP1.94
Rot. Bonds1

About 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride

1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride (PubChem CID 138110357) has the molecular formula C7H9ClF3N3 and a molecular weight of 227.62 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride
PubChem CID138110357
Molecular FormulaC7H9ClF3N3
Molecular Weight227.62 g/mol
Exact Mass227.04
IUPAC Name1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride
SMILESCC(N)c1ccc(C(F)(F)F)nn1.Cl
InChIInChI=1S/C7H8F3N3.ClH/c1-4(11)5-2-3-6(13-12-5)7(8,9)10;/h2-4H,11H2,1H3;1H
InChIKeyITHVBSRLVAHKFR-UHFFFAOYSA-N
XLogP1.94
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.62
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dimethylpyridazine
CID 527031
1-(Pyridazin-3-yl)ethan-1-amine
CID 69035378
(6-Methylpyridazin-3-yl)methanamine dihydrochloride
CID 91667906
1-(6-(Trifluoromethyl)pyridazin-3-yl)methanamine hydrochloride
CID 121397667
Pyridazine, 3-ethyl-6-methyl-
CID 12440085
Pyridazine, 3-methyl-6-n-propyl-
CID 85774315
3-Methyl-6-(trifluoromethyl)pyridazine
CID 20691950
3-Ethyl-6-fluoropyridazine
CID 21030397
N'-[(6-fluoropyridazin-3-yl)methyl]ethane-1,2-diamine
CID 21698027
N'-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethane-1,2-diamine
CID 21698478
(6-Methylpyridazin-3-yl)methanamine
CID 55284503
3-Propan-2-yl-6-(trifluoromethyl)pyridazine
CID 57821789

Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride (CID 138110357) is 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride is CC(N)c1ccc(C(F)(F)F)nn1.Cl.
What is the InChIKey of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride?
The InChIKey is ITHVBSRLVAHKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3.ClH/c1-4(11)5-2-3-6(13-12-5)7(8,9)10;/h2-4H,11H2,1H3;1H.
What are the key properties of 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride?
1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride has a molecular weight of 227.62 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)pyridazin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 138110357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).