1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole

C21H17N3Se — CID 134835762

IUPAC1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole
SMILESCc1ccccc1[Se]c1ccccc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C21H17N3Se/c1-16-9-5-7-13-20(16)25-21-14-8-6-12-19(21)24-15-18(22-23-24)17-10-3-2-4-11-17/h2-15H,1H3
InChIKeyVWKJFWANWMYEGQ-UHFFFAOYSA-N
MW390.35 g/mol
LogP2.90
Rot. Bonds4

About 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole

1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole (PubChem CID 134835762) has the molecular formula C21H17N3Se and a molecular weight of 390.35 g/mol. Its IUPAC name is 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole.

Molecular Properties

Compound Name1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole
PubChem CID134835762
Molecular FormulaC21H17N3Se
Molecular Weight390.35 g/mol
Exact Mass391.06
IUPAC Name1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole
SMILESCc1ccccc1[Se]c1ccccc1-n1cc(-c2ccccc2)nn1
InChIInChI=1S/C21H17N3Se/c1-16-9-5-7-13-20(16)25-21-14-8-6-12-19(21)24-15-18(22-23-24)17-10-3-2-4-11-17/h2-15H,1H3
InChIKeyVWKJFWANWMYEGQ-UHFFFAOYSA-N
XLogP2.90
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

4-(3-chlorophenyl)-1-(2-methylphenyl)triazole
CID 20977557
4-methyl-3-(4-phenyltriazol-1-yl)aniline
CID 82369853
1-naphthalen-1-yl-4-phenyltriazole
CID 78136552
4-[1-(2,3-dimethylphenyl)triazol-4-yl]benzoic acid
CID 82367376
5-phenyl-10-[2-[4-[3-[1-[2-(10-phenylphenazin-5-yl)phenyl]triazol-4-yl]phenyl]triazol-1-yl]phenyl]phenazine
CID 118303670
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
1-[(2-iodophenyl)methyl]-4-phenyltriazole;1-(2-iodophenyl)-4-phenyltriazole
CID 159119376
1-(2,5-dibromophenyl)-4-phenyltriazole
CID 141406964
4-(2-octoxyphenyl)-1-[2-(2-octoxyphenyl)selanylphenyl]triazole
CID 177393760
1-methyl-4-phenyltriazole
CID 11309663
[4-(4-phenyltriazol-1-yl)phenyl]borane
CID 143877764
1-ethyl-2-[2-(4-phenyltriazol-1-yl)phenyl]cyclopropan-1-amine
CID 90204123

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole?
The IUPAC name of 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole (CID 134835762) is 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole.
What is the SMILES notation for 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole?
The canonical SMILES for 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole is Cc1ccccc1[Se]c1ccccc1-n1cc(-c2ccccc2)nn1.
What is the InChIKey of 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole?
The InChIKey is VWKJFWANWMYEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3Se/c1-16-9-5-7-13-20(16)25-21-14-8-6-12-19(21)24-15-18(22-23-24)17-10-3-2-4-11-17/h2-15H,1H3.
What are the key properties of 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole?
1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole has a molecular weight of 390.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylphenyl)selanylphenyl]-4-phenyltriazole is sourced from PubChem (CID 134835762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).