5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile

C18H14N4O — CID 122477715

IUPAC5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
SMILESCOc1cccc(/C=C/c2cccc(-c3n[nH]nc3C#N)c2)c1
InChIInChI=1S/C18H14N4O/c1-23-16-7-3-5-14(11-16)9-8-13-4-2-6-15(10-13)18-17(12-19)20-22-21-18/h2-11H,1H3,(H,20,21,22)/b9-8+
InChIKeyMNOSZBXMHRNFKX-CMDGGOBGSA-N
MW302.34 g/mol
LogP3.52
Rot. Bonds4

About 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile

5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile (PubChem CID 122477715) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
PubChem CID122477715
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile
SMILESCOc1cccc(/C=C/c2cccc(-c3n[nH]nc3C#N)c2)c1
InChIInChI=1S/C18H14N4O/c1-23-16-7-3-5-14(11-16)9-8-13-4-2-6-15(10-13)18-17(12-19)20-22-21-18/h2-11H,1H3,(H,20,21,22)/b9-8+
InChIKeyMNOSZBXMHRNFKX-CMDGGOBGSA-N
XLogP3.52
TPSA74.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile 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

5-[3-[(E)-2-[4-methyl-3-(trifluoromethyl)phenyl]ethenyl]phenyl]-2H-triazole-4-carbonitrile
CID 122477829
5-(4-methoxyphenyl)-2H-triazole-4-carbonitrile
CID 5076757
5-(3-pyrimidin-2-yloxyphenyl)-2H-triazole-4-carbonitrile
CID 122478168
5-[3-(6-methoxypyridazin-3-yl)phenyl]-2H-triazole-4-carbonitrile
CID 122478071
5-[3-[(E)-3-(4-fluorophenyl)prop-2-enoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479581
5-[3-(3-acetylphenyl)phenyl]-2H-triazole-4-carbonitrile
CID 122479305
5-[3-[(2,6-difluorophenyl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122477779
5-(ethylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200321
5-[3-[(3,5-dimethylphenoxy)methyl]phenyl]-2H-triazole-4-carbonitrile
CID 122479502
5-(benzylamino)-2-[(E)-2-(3-methoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
CID 6200328
5-[5-[(E)-2-(3-fluoro-5-methoxyphenyl)ethenyl]furan-2-yl]-2H-triazole-4-carbonitrile
CID 122478748
5-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479656

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile (CID 122477715) is 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile is COc1cccc(/C=C/c2cccc(-c3n[nH]nc3C#N)c2)c1.
What is the InChIKey of 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is MNOSZBXMHRNFKX-CMDGGOBGSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-16-7-3-5-14(11-16)9-8-13-4-2-6-15(10-13)18-17(12-19)20-22-21-18/h2-11H,1H3,(H,20,21,22)/b9-8+.
What are the key properties of 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile?
5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 302.34 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(E)-2-(3-methoxyphenyl)ethenyl]phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122477715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).