5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole

C17H17N3O — CID 141069718

IUPAC5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole
SMILESc1ccc(COc2ccc(CCc3ncn[nH]3)cc2)cc1
InChIInChI=1S/C17H17N3O/c1-2-4-15(5-3-1)12-21-16-9-6-14(7-10-16)8-11-17-18-13-19-20-17/h1-7,9-10,13H,8,11-12H2,(H,18,19,20)
InChIKeyXVCVMSNPKBODIN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.17
Rot. Bonds6

About 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole

5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole (PubChem CID 141069718) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole
PubChem CID141069718
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole
SMILESc1ccc(COc2ccc(CCc3ncn[nH]3)cc2)cc1
InChIInChI=1S/C17H17N3O/c1-2-4-15(5-3-1)12-21-16-9-6-14(7-10-16)8-11-17-18-13-19-20-17/h1-7,9-10,13H,8,11-12H2,(H,18,19,20)
InChIKeyXVCVMSNPKBODIN-UHFFFAOYSA-N
XLogP3.17
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-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

2-phenyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]ethanamine
CID 64546169
2-[[4-[[4-(1H-1,2,4-triazol-5-ylmethyl)phenoxy]methyl]phenoxy]methyl]quinoline
CID 21014285
1-(benzylperoxymethyl)-4-[[4-[(4-phenylmethoxyphenyl)methoxy]phenyl]methoxy]benzene
CID 156694250
1-(3-fluoropropyl)-4-phenylmethoxybenzene
CID 83932928
lithium 3-(4-phenylmethoxyphenyl)propan-1-olate
CID 70590872
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540
benzyl 4-(1H-1,2,4-triazol-5-ylmethyl)benzoate
CID 164875489
2-[4-[3-(4-phenylmethoxyphenoxy)propoxy]phenyl]ethanamine
CID 170868663
1-(3-methoxypropyl)-4-phenylmethoxybenzene
CID 70548198
N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 89197006
2-[[4-[2-methyl-4-(1H-1,2,4-triazol-5-yl)butyl]phenoxy]methyl]quinoline
CID 20597850

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole (CID 141069718) is 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole is c1ccc(COc2ccc(CCc3ncn[nH]3)cc2)cc1.
What is the InChIKey of 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole?
The InChIKey is XVCVMSNPKBODIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-4-15(5-3-1)12-21-16-9-6-14(7-10-16)8-11-17-18-13-19-20-17/h1-7,9-10,13H,8,11-12H2,(H,18,19,20).
What are the key properties of 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole?
5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole has a molecular weight of 279.34 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-phenylmethoxyphenyl)ethyl]-1H-1,2,4-triazole is sourced from PubChem (CID 141069718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).