5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole

C17H15N3O — CID 4287639

IUPAC5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole
SMILESC(=Cc1ccccc1)COc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O/c1-3-8-14(9-4-1)10-7-13-21-17-18-16(19-20-17)15-11-5-2-6-12-15/h1-12H,13H2,(H,18,19,20)
InChIKeyFAGRERZVOQEROK-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.56
Rot. Bonds5

About 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole

5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole (PubChem CID 4287639) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole
PubChem CID4287639
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole
SMILESC(=Cc1ccccc1)COc1n[nH]c(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O/c1-3-8-14(9-4-1)10-7-13-21-17-18-16(19-20-17)15-11-5-2-6-12-15/h1-12H,13H2,(H,18,19,20)
InChIKeyFAGRERZVOQEROK-UHFFFAOYSA-N
XLogP3.56
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-3-phenylprop-2-enoxy]pyrimidin-4-amine
CID 116797758
2-[(E)-3-phenylprop-2-enoxy]phenol
CID 12554327
[(Z)-3-prop-2-ynoxyprop-1-enyl]benzene
CID 129361921
2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)oxy]acetic acid
CID 91673231
trifluoro-[2-(3-phenylprop-2-enoxy)phenyl]boranuide
CID 77016973
8-[(E)-3-phenylprop-2-enoxy]quinoline
CID 66545724
1-tert-butyl-2-(3-phenylprop-2-enoxy)benzene
CID 77053007
1-[(2-phenyl-1H-imidazol-5-yl)methyl]-4-[(Z)-3-phenylprop-2-enyl]piperazine
CID 74226153
[(E)-3-(4-phenylphenyl)prop-2-enyl] formate
CID 140827492
1-iodo-2-[(E)-3-phenylprop-2-enoxy]benzene
CID 11198459
3-chloro-5-(3-phenylprop-2-enoxy)-1,2,4-triazine
CID 114999587
5-bromo-4-[(E)-3-phenylprop-2-enoxy]pyrimidin-2-amine
CID 80867240

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole?
The IUPAC name of 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole (CID 4287639) is 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole.
What is the SMILES notation for 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole?
The canonical SMILES for 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole is C(=Cc1ccccc1)COc1n[nH]c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole?
The InChIKey is FAGRERZVOQEROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-3-8-14(9-4-1)10-7-13-21-17-18-16(19-20-17)15-11-5-2-6-12-15/h1-12H,13H2,(H,18,19,20).
What are the key properties of 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole?
5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole has a molecular weight of 277.33 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(3-phenylprop-2-enoxy)-1H-1,2,4-triazole is sourced from PubChem (CID 4287639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).