(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

C15H11ClN4 — CID 9027661

IUPAC(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESClc1ccc(/C=N\n2cnnc2-c2ccccc2)cc1
InChIInChI=1S/C15H11ClN4/c16-14-8-6-12(7-9-14)10-18-20-11-17-19-15(20)13-4-2-1-3-5-13/h1-11H/b18-10-
InChIKeyKKCIPDMICWANNN-ZDLGFXPLSA-N
MW282.73 g/mol
LogP3.48
Rot. Bonds3

About (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine

(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (PubChem CID 9027661) has the molecular formula C15H11ClN4 and a molecular weight of 282.73 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
PubChem CID9027661
Molecular FormulaC15H11ClN4
Molecular Weight282.73 g/mol
Exact Mass282.07
IUPAC Name(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine
SMILESClc1ccc(/C=N\n2cnnc2-c2ccccc2)cc1
InChIInChI=1S/C15H11ClN4/c16-14-8-6-12(7-9-14)10-18-20-11-17-19-15(20)13-4-2-1-3-5-13/h1-11H/b18-10-
InChIKeyKKCIPDMICWANNN-ZDLGFXPLSA-N
XLogP3.48
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 53.48
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 (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine (CID 9027661) is (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is Clc1ccc(/C=N\n2cnnc2-c2ccccc2)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
The InChIKey is KKCIPDMICWANNN-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H11ClN4/c16-14-8-6-12(7-9-14)10-18-20-11-17-19-15(20)13-4-2-1-3-5-13/h1-11H/b18-10-.
What are the key properties of (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine?
(Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine has a molecular weight of 282.73 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-N-(3-phenyl-1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 9027661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).