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

C15H13F3N6 — CID 9244571

IUPAC(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESCc1cc(C)n(-c2nncn2/N=C\c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H13F3N6/c1-10-7-11(2)24(22-10)14-21-19-9-23(14)20-8-12-5-3-4-6-13(12)15(16,17)18/h3-9H,1-2H3/b20-8-
InChIKeyYURXDMIWKVZBLS-ZBKNUEDVSA-N
MW334.31 g/mol
LogP2.98
Rot. Bonds3

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

(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 9244571) has the molecular formula C15H13F3N6 and a molecular weight of 334.31 g/mol. Its IUPAC name is (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID9244571
Molecular FormulaC15H13F3N6
Molecular Weight334.31 g/mol
Exact Mass334.12
IUPAC Name(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine
SMILESCc1cc(C)n(-c2nncn2/N=C\c2ccccc2C(F)(F)F)n1
InChIInChI=1S/C15H13F3N6/c1-10-7-11(2)24(22-10)14-21-19-9-23(14)20-8-12-5-3-4-6-13(12)15(16,17)18/h3-9H,1-2H3/b20-8-
InChIKeyYURXDMIWKVZBLS-ZBKNUEDVSA-N
XLogP2.98
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(2-chlorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine
CID 5373853
4-[(Z)-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diol
CID 136720855
4-[(E)-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]iminomethyl]benzene-1,3-diol
CID 135699733
(Z)-1-(2-chloro-6-fluorophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine
CID 9244521
4-[(Z)-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]iminomethyl]benzene-1,2-diol
CID 136720854
N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-methoxyphenyl)methanimine
CID 4072667
N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]-4-[(E)-[2-(trifluoromethyl)phenyl]methylideneamino]-1,2,4-triazol-3-amine
CID 6323552
(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-nitrophenyl)methanimine
CID 9244483
(Z)-1-(3-bromo-4-methoxyphenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine
CID 9244975
(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(4-propoxyphenyl)methanimine
CID 9245112
1-(2,5-dimethoxy-4-nitrophenyl)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]methanimine
CID 3495052
(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-(5-nitrofuran-2-yl)methanimine
CID 9244516

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine (CID 9244571) is (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine is Cc1cc(C)n(-c2nncn2/N=C\c2ccccc2C(F)(F)F)n1.
What is the InChIKey of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is YURXDMIWKVZBLS-ZBKNUEDVSA-N. The full InChI is InChI=1S/C15H13F3N6/c1-10-7-11(2)24(22-10)14-21-19-9-23(14)20-8-12-5-3-4-6-13(12)15(16,17)18/h3-9H,1-2H3/b20-8-.
What are the key properties of (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine?
(Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 334.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[3-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-4-yl]-1-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 9244571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).