4-methyl-1-(2-phenylmethoxyphenyl)triazole

C16H15N3O — CID 164608893

IUPAC4-methyl-1-(2-phenylmethoxyphenyl)triazole
SMILESCc1cn(-c2ccccc2OCc2ccccc2)nn1
InChIInChI=1S/C16H15N3O/c1-13-11-19(18-17-13)15-9-5-6-10-16(15)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyFKXYLQIDJSFWNZ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.15
Rot. Bonds4

About 4-methyl-1-(2-phenylmethoxyphenyl)triazole

4-methyl-1-(2-phenylmethoxyphenyl)triazole (PubChem CID 164608893) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-methyl-1-(2-phenylmethoxyphenyl)triazole.

Molecular Properties

Compound Name4-methyl-1-(2-phenylmethoxyphenyl)triazole
PubChem CID164608893
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name4-methyl-1-(2-phenylmethoxyphenyl)triazole
SMILESCc1cn(-c2ccccc2OCc2ccccc2)nn1
InChIInChI=1S/C16H15N3O/c1-13-11-19(18-17-13)15-9-5-6-10-16(15)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChIKeyFKXYLQIDJSFWNZ-UHFFFAOYSA-N
XLogP3.15
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 16736229
2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
CID 16736230
4-[1-[4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736235
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-[1-[4-(3-fluoropropoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736237
4-[1-[4-(2-fluoroethoxy)phenyl]triazol-4-yl]-N,N-dimethylaniline
CID 16736456
tert-butyl 4-[1-(2-methoxyphenyl)triazol-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 44588427
7-[(1-phenyl-1H-1,2,3-triazol-4-yl)methoxy]-2H-chromene-2-thione
CID 86719933
1H-1,2,3-Triazole, 4-(phenoxymethyl)-1-phenyl-
CID 851737
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
3-[4-(3-Carbamimidoylphenyl)triazol-1-yl]-4-methoxybenzenecarboximidamide;dihydrochloride
CID 44627101

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-phenylmethoxyphenyl)triazole?
The IUPAC name of 4-methyl-1-(2-phenylmethoxyphenyl)triazole (CID 164608893) is 4-methyl-1-(2-phenylmethoxyphenyl)triazole.
What is the SMILES notation for 4-methyl-1-(2-phenylmethoxyphenyl)triazole?
The canonical SMILES for 4-methyl-1-(2-phenylmethoxyphenyl)triazole is Cc1cn(-c2ccccc2OCc2ccccc2)nn1.
What is the InChIKey of 4-methyl-1-(2-phenylmethoxyphenyl)triazole?
The InChIKey is FKXYLQIDJSFWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-13-11-19(18-17-13)15-9-5-6-10-16(15)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3.
What are the key properties of 4-methyl-1-(2-phenylmethoxyphenyl)triazole?
4-methyl-1-(2-phenylmethoxyphenyl)triazole has a molecular weight of 265.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-phenylmethoxyphenyl)triazole is sourced from PubChem (CID 164608893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).