N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine

C12H9F3N4 — CID 164557635

IUPACN-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine
SMILESC=Nc1nnc(-c2cnccc2C(F)(F)F)cc1C
InChIInChI=1S/C12H9F3N4/c1-7-5-10(18-19-11(7)16-2)8-6-17-4-3-9(8)12(13,14)15/h3-6H,2H2,1H3
InChIKeyQFQMXAVIZWQLFR-UHFFFAOYSA-N
MW266.23 g/mol
LogP3.20
Rot. Bonds2

About N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine

N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine (PubChem CID 164557635) has the molecular formula C12H9F3N4 and a molecular weight of 266.23 g/mol. Its IUPAC name is N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine.

Molecular Properties

Compound NameN-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine
PubChem CID164557635
Molecular FormulaC12H9F3N4
Molecular Weight266.23 g/mol
Exact Mass266.08
IUPAC NameN-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine
SMILESC=Nc1nnc(-c2cnccc2C(F)(F)F)cc1C
InChIInChI=1S/C12H9F3N4/c1-7-5-10(18-19-11(7)16-2)8-6-17-4-3-9(8)12(13,14)15/h3-6H,2H2,1H3
InChIKeyQFQMXAVIZWQLFR-UHFFFAOYSA-N
XLogP3.20
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazine
CID 168913034
3-(4-fluoro-2-pyridinyl)-4-(trifluoromethyl)pyridine
CID 102824580
N,2-dimethyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyrimidin-4-amine
CID 102709116
[3-methyl-4-[4-(trifluoromethyl)-3-pyridinyl]phenyl]methanamine
CID 102708695
2,4-dimethyl-5-[4-(trifluoromethyl)-3-pyridinyl]benzoic acid
CID 107515751
3-methyl-2-[6-(methylideneamino)-5-(trifluoromethyl)pyridazin-3-yl]-5-(trifluoromethyl)phenol
CID 155305798
3-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazin-6-one
CID 106522536
2-[4-(trifluoromethyl)-3-pyridinyl]-1,3-benzothiazole
CID 69499454
4-[4-(trifluoromethyl)-3-pyridinyl]-1H-pyridazine-6-thione
CID 106522555
4-[4-(trifluoromethyl)-3-pyridinyl]benzaldehyde
CID 102708678
4-methyl-3-[3-[4-[2-methyl-5-(4-methyl-3-pyridinyl)phenyl]-2,5-diphenylphenyl]-4-(trifluoromethyl)phenyl]pyridine
CID 59609434
2-[dideuterio-(3,3-dimethyloxan-4-yl)methyl]-N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-amine
CID 169222048

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine?
The IUPAC name of N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine (CID 164557635) is N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine.
What is the SMILES notation for N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine?
The canonical SMILES for N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine is C=Nc1nnc(-c2cnccc2C(F)(F)F)cc1C.
What is the InChIKey of N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine?
The InChIKey is QFQMXAVIZWQLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N4/c1-7-5-10(18-19-11(7)16-2)8-6-17-4-3-9(8)12(13,14)15/h3-6H,2H2,1H3.
What are the key properties of N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine?
N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine has a molecular weight of 266.23 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-6-[4-(trifluoromethyl)-3-pyridinyl]pyridazin-3-yl]methanimine is sourced from PubChem (CID 164557635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).