(E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine

C10H10N4 — CID 5410104

IUPAC(E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N\n1cnnc1)c1ccccc1
InChIInChI=1S/C10H10N4/c1-9(10-5-3-2-4-6-10)13-14-7-11-12-8-14/h2-8H,1H3/b13-9+
InChIKeyHWPMKZSAYRLELT-UKTHLTGXSA-N
MW186.22 g/mol
LogP1.55
Rot. Bonds2

About (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine

(E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine (PubChem CID 5410104) has the molecular formula C10H10N4 and a molecular weight of 186.22 g/mol. Its IUPAC name is (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine.

Molecular Properties

Compound Name(E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine
PubChem CID5410104
Molecular FormulaC10H10N4
Molecular Weight186.22 g/mol
Exact Mass186.09
IUPAC Name(E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine
SMILESC/C(=N\n1cnnc1)c1ccccc1
InChIInChI=1S/C10H10N4/c1-9(10-5-3-2-4-6-10)13-14-7-11-12-8-14/h2-8H,1H3/b13-9+
InChIKeyHWPMKZSAYRLELT-UKTHLTGXSA-N
XLogP1.55
TPSA43.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.22
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-{(E)-[4-(propan-2-yl)phenyl]methylidene}-4H-1,2,4-triazol-4-amine
CID 5339661
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-[(Z)-(4-ethylphenyl)methylidene]-4H-1,2,4-triazol-4-amine
CID 5402317
4-fluorobenzaldehyde (4-amino-4H-1,2,4-triazol-3-yl)hydrazone
CID 9585805
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
N-(1,2,4-triazol-4-yl)fluoren-9-imine
CID 2312923
(E)-N-((Z)-2-methyl-3-phenylallylidene)-4H-1,2,4-triazol-4-amine
CID 6858576
N-[(1E)-(4-tert-butylphenyl)methylene]-4H-1,2,4-triazol-4-amine
CID 6858619

Frequently Asked Questions

What is the IUPAC name of (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine?
The IUPAC name of (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine (CID 5410104) is (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine.
What is the SMILES notation for (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine?
The canonical SMILES for (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine is C/C(=N\n1cnnc1)c1ccccc1.
What is the InChIKey of (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine?
The InChIKey is HWPMKZSAYRLELT-UKTHLTGXSA-N. The full InChI is InChI=1S/C10H10N4/c1-9(10-5-3-2-4-6-10)13-14-7-11-12-8-14/h2-8H,1H3/b13-9+.
What are the key properties of (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine?
(E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine has a molecular weight of 186.22 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-phenyl-N-(1,2,4-triazol-4-yl)ethanimine is sourced from PubChem (CID 5410104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).