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

C11H12N4 — CID 5402317

IUPAC(Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCc1ccc(/C=N\n2cnnc2)cc1
InChIInChI=1S/C11H12N4/c1-2-10-3-5-11(6-4-10)7-14-15-8-12-13-9-15/h3-9H,2H2,1H3/b14-7-
InChIKeyAQCNDIUVPKLJMW-AUWJEWJLSA-N
MW200.25 g/mol
LogP1.72
Rot. Bonds3

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

(Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (PubChem CID 5402317) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.

Molecular Properties

Compound Name(Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
PubChem CID5402317
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name(Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
SMILESCCc1ccc(/C=N\n2cnnc2)cc1
InChIInChI=1S/C11H12N4/c1-2-10-3-5-11(6-4-10)7-14-15-8-12-13-9-15/h3-9H,2H2,1H3/b14-7-
InChIKeyAQCNDIUVPKLJMW-AUWJEWJLSA-N
XLogP1.72
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.72
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

N-{(E)-[4-(propan-2-yl)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5339661
N-[(E)-naphthalen-1-ylmethylidene]-4H-1,2,4-triazol-4-amine
CID 6858570
1-(4-phenylphenyl)-N-(1,2,4-triazol-4-yl)methanimine
CID 6859373
Propene, 2-bromo-1-phenyl-3-(1,2,4-triazol-4-yl)imino-
CID 6861939
N-(1-phenylethylidene)-N-(4H-1,2,4-triazol-4-yl)amine
CID 5410104
4-fluorobenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone
CID 9585805
4-tert-butylbenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone
CID 9585829
4-[(E)-C-methyl-N-(1,2,4-triazol-4-yl)carbonimidoyl]benzonitrile
CID 9649358
4-methylbenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone
CID 56642855
(2-Methyl-3-phenyl-allylidene)-[1,2,4]triazol-4-yl-amine
CID 6879748
(E)-3-phenyl-N-(1,2,4-triazol-4-yl)prop-2-en-1-imine
CID 5337535
(E)-N-((Z)-2-methyl-3-phenylallylidene)-4H-1,2,4-triazol-4-amine
CID 6858576

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The IUPAC name of (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine (CID 5402317) is (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine.
What is the SMILES notation for (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The canonical SMILES for (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is CCc1ccc(/C=N\n2cnnc2)cc1.
What is the InChIKey of (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
The InChIKey is AQCNDIUVPKLJMW-AUWJEWJLSA-N. The full InChI is InChI=1S/C11H12N4/c1-2-10-3-5-11(6-4-10)7-14-15-8-12-13-9-15/h3-9H,2H2,1H3/b14-7-.
What are the key properties of (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine?
(Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine has a molecular weight of 200.25 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethylphenyl)-N-(1,2,4-triazol-4-yl)methanimine is sourced from PubChem (CID 5402317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).