N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

C15H16F3N3 — CID 71528502

IUPACN,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCCN(CC)c1ccc(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C15H16F3N3/c1-3-21(4-2)14-9-8-13(19-20-14)11-6-5-7-12(10-11)15(16,17)18/h5-10H,3-4H2,1-2H3
InChIKeyMRTUMENSEHMEIT-UHFFFAOYSA-N
MW295.31 g/mol
LogP4.01
Rot. Bonds4

About N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine

N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (PubChem CID 71528502) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
PubChem CID71528502
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
SMILESCCN(CC)c1ccc(-c2cccc(C(F)(F)F)c2)nn1
InChIInChI=1S/C15H16F3N3/c1-3-21(4-2)14-9-8-13(19-20-14)11-6-5-7-12(10-11)15(16,17)18/h5-10H,3-4H2,1-2H3
InChIKeyMRTUMENSEHMEIT-UHFFFAOYSA-N
XLogP4.01
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
ethane;3-(3-methylphenyl)-6-(trifluoromethyl)pyridazine
CID 144595447
3-[4-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]pentan-3-amine
CID 61337275
N,N-diethyl-2-methyl-7-[3-(trifluoromethyl)phenyl]quinolin-4-amine
CID 22474962
2-ethyl-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 80935689
3-(chloromethyl)-6-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 12726862
4-methoxy-3-methylsulfanyl-6-[3-(trifluoromethyl)phenyl]pyridazine
CID 19959667
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
2-(3-tert-butylphenyl)-5-(trifluoromethyl)pyridine
CID 58432818
5-[3-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 20567072
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
1-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine
CID 111267529

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The IUPAC name of N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine (CID 71528502) is N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine.
What is the SMILES notation for N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The canonical SMILES for N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is CCN(CC)c1ccc(-c2cccc(C(F)(F)F)c2)nn1.
What is the InChIKey of N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
The InChIKey is MRTUMENSEHMEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-3-21(4-2)14-9-8-13(19-20-14)11-6-5-7-12(10-11)15(16,17)18/h5-10H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine?
N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine has a molecular weight of 295.31 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine is sourced from PubChem (CID 71528502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).