N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine

C14H12F3N3 — CID 72863420

IUPACN-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine
SMILESCNc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C14H12F3N3/c1-18-13-9-8-12(19-20-13)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-9H,1H3,(H,18,20)/b7-4+
InChIKeyJSXCPQNMRVGCNG-QPJJXVBHSA-N
MW279.27 g/mol
LogP3.71
Rot. Bonds3

About N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine

N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine (PubChem CID 72863420) has the molecular formula C14H12F3N3 and a molecular weight of 279.27 g/mol. Its IUPAC name is N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine.

Molecular Properties

Compound NameN-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine
PubChem CID72863420
Molecular FormulaC14H12F3N3
Molecular Weight279.27 g/mol
Exact Mass279.10
IUPAC NameN-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine
SMILESCNc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)nn1
InChIInChI=1S/C14H12F3N3/c1-18-13-9-8-12(19-20-13)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-9H,1H3,(H,18,20)/b7-4+
InChIKeyJSXCPQNMRVGCNG-QPJJXVBHSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
1-ethyl-4-[2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 76576198
6-methoxy-2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline
CID 166708097
1-[(E)-3,3-dimethylbut-1-enyl]-4-(trifluoromethyl)benzene
CID 22975197
1-(trifluoromethyl)-4-[(E)-2-[4-[2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221378
triethyl-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]silane
CID 12996059
N,N-dimethyl-4-[(E)-2-[6-(trifluoromethyl)quinolin-2-yl]ethenyl]aniline
CID 71653668
2-[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]butan-2-amine
CID 89087487
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
2-[2-[4-(trifluoromethyl)phenyl]ethenyl]quinoline-4-carboxylic acid
CID 3340694
6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-pyrido[3,2-d]pyrimidine-2,4-dione
CID 132541991

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine?
The IUPAC name of N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine (CID 72863420) is N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine.
What is the SMILES notation for N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine?
The canonical SMILES for N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine is CNc1ccc(/C=C/c2ccc(C(F)(F)F)cc2)nn1.
What is the InChIKey of N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine?
The InChIKey is JSXCPQNMRVGCNG-QPJJXVBHSA-N. The full InChI is InChI=1S/C14H12F3N3/c1-18-13-9-8-12(19-20-13)7-4-10-2-5-11(6-3-10)14(15,16)17/h2-9H,1H3,(H,18,20)/b7-4+.
What are the key properties of N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine?
N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine has a molecular weight of 279.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]pyridazin-3-amine is sourced from PubChem (CID 72863420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).