4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole

C12H13N3O — CID 69000286

IUPAC4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole
SMILESC=Cc1cn(Cc2ccc(OC)cc2)nn1
InChIInChI=1S/C12H13N3O/c1-3-11-9-15(14-13-11)8-10-4-6-12(16-2)7-5-10/h3-7,9H,1,8H2,2H3
InChIKeyRCDREPLNOHPCID-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.98
Rot. Bonds4

About 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole

4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole (PubChem CID 69000286) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole.

Molecular Properties

Compound Name4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole
PubChem CID69000286
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole
SMILESC=Cc1cn(Cc2ccc(OC)cc2)nn1
InChIInChI=1S/C12H13N3O/c1-3-11-9-15(14-13-11)8-10-4-6-12(16-2)7-5-10/h3-7,9H,1,8H2,2H3
InChIKeyRCDREPLNOHPCID-UHFFFAOYSA-N
XLogP1.98
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole 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

[(E)-2-fluoro-3-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]prop-2-enyl] methanesulfonate
CID 176907187
1-[(4-methoxyphenyl)methyl]-4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]triazole
CID 168934691
2-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]acetonitrile
CID 171338528
1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine
CID 177499742
1-benzyl-4-(4-methoxyphenyl)triazole
CID 159416522
4-(4-methoxyphenyl)-1-[[4-(trifluoromethyl)phenyl]methyl]triazole
CID 162666489
2-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
CID 134941621
1-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]-1-phenylethanol
CID 139220303
4-[[4-(4-methoxyphenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723308
2-bromo-4-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pyridine
CID 86680800
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
4-tert-butyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 155787800

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole?
The IUPAC name of 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole (CID 69000286) is 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole.
What is the SMILES notation for 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole?
The canonical SMILES for 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole is C=Cc1cn(Cc2ccc(OC)cc2)nn1.
What is the InChIKey of 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole?
The InChIKey is RCDREPLNOHPCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-11-9-15(14-13-11)8-10-4-6-12(16-2)7-5-10/h3-7,9H,1,8H2,2H3.
What are the key properties of 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole?
4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole has a molecular weight of 215.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[(4-methoxyphenyl)methyl]triazole is sourced from PubChem (CID 69000286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).