1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole

C17H14ClN3 — CID 139191570

IUPAC1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole
SMILESClc1ccc(/C=C/Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C17H14ClN3/c18-16-10-8-14(9-11-16)5-4-12-21-13-17(19-20-21)15-6-2-1-3-7-15/h1-11,13H,12H2/b5-4+
InChIKeyXRTHJPKAWFBGLV-SNAWJCMRSA-N
MW295.77 g/mol
LogP4.31
Rot. Bonds4

About 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole

1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole (PubChem CID 139191570) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole
PubChem CID139191570
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole
SMILESClc1ccc(/C=C/Cn2cc(-c3ccccc3)nn2)cc1
InChIInChI=1S/C17H14ClN3/c18-16-10-8-14(9-11-16)5-4-12-21-13-17(19-20-21)15-6-2-1-3-7-15/h1-11,13H,12H2/b5-4+
InChIKeyXRTHJPKAWFBGLV-SNAWJCMRSA-N
XLogP4.31
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-4-(4-chlorophenyl)triazole
CID 24809363
trifluoro-[(4-phenyltriazol-1-yl)methyl]boranuide
CID 102386878
1-[2-(4-chlorophenyl)-2-phenylmethoxyethyl]-4-phenyltriazole
CID 156580037
3-(4-phenyltriazol-1-yl)propan-1-amine;hydrochloride
CID 86262386
[4-(3-chlorophenyl)piperazin-1-yl]-[1-[(E)-3-phenylprop-2-enyl]triazol-4-yl]methanone
CID 42291922
4-phenyl-1-(3-phenylprop-2-enyl)imidazole
CID 57289864
1-(azetidin-3-ylmethyl)-4-phenyltriazole
CID 86262228
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023
1-(2-methoxyethyl)-4-phenyltriazole
CID 50852603
1-[2,2,3,3,4,4,5,5-octafluoro-6-(4-phenyltriazol-1-yl)hexyl]-4-phenyltriazole
CID 118906956
(E)-4-[1-(3-phenylprop-2-enyl)triazol-4-yl]but-3-en-2-one
CID 141378131
[4-[(4-phenyltriazol-1-yl)methyl]phenyl]borinic acid
CID 143877814

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole?
The IUPAC name of 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole (CID 139191570) is 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole.
What is the SMILES notation for 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole?
The canonical SMILES for 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole is Clc1ccc(/C=C/Cn2cc(-c3ccccc3)nn2)cc1.
What is the InChIKey of 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole?
The InChIKey is XRTHJPKAWFBGLV-SNAWJCMRSA-N. The full InChI is InChI=1S/C17H14ClN3/c18-16-10-8-14(9-11-16)5-4-12-21-13-17(19-20-21)15-6-2-1-3-7-15/h1-11,13H,12H2/b5-4+.
What are the key properties of 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole?
1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole has a molecular weight of 295.77 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-chlorophenyl)prop-2-enyl]-4-phenyltriazole is sourced from PubChem (CID 139191570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).