(Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

C12H12F2N4O — CID 6211502

IUPAC(Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1nnc(C)n1/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N4O/c1-8-16-17-9(2)18(8)15-7-10-5-3-4-6-11(10)19-12(13)14/h3-7,12H,1-2H3/b15-7-
InChIKeyYSPSYFMBGMUQFV-CHHVJCJISA-N
MW266.25 g/mol
LogP2.38
Rot. Bonds4

About (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 6211502) has the molecular formula C12H12F2N4O and a molecular weight of 266.25 g/mol. Its IUPAC name is (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
PubChem CID6211502
Molecular FormulaC12H12F2N4O
Molecular Weight266.25 g/mol
Exact Mass266.10
IUPAC Name(Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
SMILESCc1nnc(C)n1/N=C\c1ccccc1OC(F)F
InChIInChI=1S/C12H12F2N4O/c1-8-16-17-9(2)18(8)15-7-10-5-3-4-6-11(10)19-12(13)14/h3-7,12H,1-2H3/b15-7-
InChIKeyYSPSYFMBGMUQFV-CHHVJCJISA-N
XLogP2.38
TPSA52.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,5-Dimethyl-N-(2,4,6-trimethoxybenzylidene)-4H-1,2,4-triazol-4-amine
CID 5347710
(3,5-Dimethyl-[1,2,4]triazol-4-yl)-[3-(2-methoxy-phenyl)-allylidene]-amine
CID 6861738
N-[(E)-(2,4-dimethoxyphenyl)methylidene]-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5342674
N-(2,3-Dimethoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5402138
4H-1,2,4-Triazol-4-amine, N-[(2-methoxyphenyl)methylene]-
CID 5337603
(E)-1-(5-bromo-2-methoxyphenyl)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine
CID 5726273
N-(3-Bromo-4-methoxybenzylidene)-3,5-dimethyl-4H-1,2,4-triazol-4-amine
CID 5347812
3,5-Dimethyl-N-(3-phenoxybenzylidene)-4H-1,2,4-triazol-4-amine
CID 9555293
(E)-1-(4-methylphenyl)-N-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-4-yl]methanimine
CID 139222759
(E)-1-(4-fluorophenyl)-N-[3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenoxy]-1,2,4-triazol-4-yl]methanimine
CID 139222760
(E)-1-(4-methoxyphenyl)-N-[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine
CID 24311111
(E)-1-(2-methoxyphenyl)-N-[3-methylsulfanyl-5-(trifluoromethyl)-1,2,4-triazol-4-yl]methanimine
CID 139222742

Frequently Asked Questions

What is the IUPAC name of (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine (CID 6211502) is (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is Cc1nnc(C)n1/N=C\c1ccccc1OC(F)F.
What is the InChIKey of (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is YSPSYFMBGMUQFV-CHHVJCJISA-N. The full InChI is InChI=1S/C12H12F2N4O/c1-8-16-17-9(2)18(8)15-7-10-5-3-4-6-11(10)19-12(13)14/h3-7,12H,1-2H3/b15-7-.
What are the key properties of (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 266.25 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-[2-(difluoromethoxy)phenyl]-N-(3,5-dimethyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 6211502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).