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

C16H15F3N4 — CID 110192069

IUPAC(E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/n2c(C3CC3)nnc2C2CC2)c1
InChIInChI=1S/C16H15F3N4/c17-16(18,19)13-3-1-2-10(8-13)9-20-23-14(11-4-5-11)21-22-15(23)12-6-7-12/h1-3,8-9,11-12H,4-7H2/b20-9+
InChIKeySEFZTNAHUBLZJH-AWQFTUOYSA-N
MW320.32 g/mol
LogP3.93
Rot. Bonds4

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

(E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 110192069) has the molecular formula C16H15F3N4 and a molecular weight of 320.32 g/mol. Its IUPAC name is (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name(E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID110192069
Molecular FormulaC16H15F3N4
Molecular Weight320.32 g/mol
Exact Mass320.12
IUPAC Name(E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1cccc(/C=N/n2c(C3CC3)nnc2C2CC2)c1
InChIInChI=1S/C16H15F3N4/c17-16(18,19)13-3-1-2-10(8-13)9-20-23-14(11-4-5-11)21-22-15(23)12-6-7-12/h1-3,8-9,11-12H,4-7H2/b20-9+
InChIKeySEFZTNAHUBLZJH-AWQFTUOYSA-N
XLogP3.93
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.32
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine (CID 110192069) is (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1cccc(/C=N/n2c(C3CC3)nnc2C2CC2)c1.
What is the InChIKey of (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is SEFZTNAHUBLZJH-AWQFTUOYSA-N. The full InChI is InChI=1S/C16H15F3N4/c17-16(18,19)13-3-1-2-10(8-13)9-20-23-14(11-4-5-11)21-22-15(23)12-6-7-12/h1-3,8-9,11-12H,4-7H2/b20-9+.
What are the key properties of (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine?
(E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 320.32 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,5-dicyclopropyl-1,2,4-triazol-4-yl)-1-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 110192069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).