(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine

C15H12N4 — CID 5425371

IUPAC(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H12N4/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-18-19-11-16-17-12-19/h1-12H/b18-10-
InChIKeyAZZWUTZSRHGGBL-ZDLGFXPLSA-N
MW248.29 g/mol
LogP2.83
Rot. Bonds3

About (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine

(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5425371) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5425371
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESC(=N\n1cnnc1)\c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H12N4/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-18-19-11-16-17-12-19/h1-12H/b18-10-
InChIKeyAZZWUTZSRHGGBL-ZDLGFXPLSA-N
XLogP2.83
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.83
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

(E)-1-(4-thiophen-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 176515678
1-(4-bromophenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 690735
(Z)-1-pyridin-4-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 5404547
(Z)-1-[4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 7317499
1-(4-methoxyphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 759377
(Z)-1-(4-propan-2-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 5403379
(E)-1-(4-pyrrolidin-1-ylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6859857
(E)-1-[4-[2-(4-methylphenoxy)ethoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5349484
(E)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 6858839
(Z)-1-[4-(difluoromethoxy)phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 5415389
1-pyridin-3-yl-N-(1,2,4-triazol-4-yl)methanimine
CID 660525
2-[(E)-(4-phenylphenyl)methylideneamino]isoindole-1,3-dione
CID 6909855

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 5425371) is (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is C(=N\n1cnnc1)\c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is AZZWUTZSRHGGBL-ZDLGFXPLSA-N. The full InChI is InChI=1S/C15H12N4/c1-2-4-14(5-3-1)15-8-6-13(7-9-15)10-18-19-11-16-17-12-19/h1-12H/b18-10-.
What are the key properties of (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 248.29 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5425371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).