4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole

C17H15Cl2N3 — CID 141167255

IUPAC4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole
SMILESClc1ccc(Cn2cnnc2CCc2ccccc2)cc1Cl
InChIInChI=1S/C17H15Cl2N3/c18-15-8-6-14(10-16(15)19)11-22-12-20-21-17(22)9-7-13-4-2-1-3-5-13/h1-6,8,10,12H,7,9,11H2
InChIKeyGZYVVRDSKKUAMY-UHFFFAOYSA-N
MW332.23 g/mol
LogP4.42
Rot. Bonds5

About 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole

4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole (PubChem CID 141167255) has the molecular formula C17H15Cl2N3 and a molecular weight of 332.23 g/mol. Its IUPAC name is 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole
PubChem CID141167255
Molecular FormulaC17H15Cl2N3
Molecular Weight332.23 g/mol
Exact Mass331.06
IUPAC Name4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole
SMILESClc1ccc(Cn2cnnc2CCc2ccccc2)cc1Cl
InChIInChI=1S/C17H15Cl2N3/c18-15-8-6-14(10-16(15)19)11-22-12-20-21-17(22)9-7-13-4-2-1-3-5-13/h1-6,8,10,12H,7,9,11H2
InChIKeyGZYVVRDSKKUAMY-UHFFFAOYSA-N
XLogP4.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.23
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
CID 141167274
3,4-bis(2-phenylethyl)-1,2,4-triazole
CID 141167257
3-benzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazole
CID 141167246
3-[(3,4-dichlorophenyl)methyl]-4-propyl-1,2,4-triazole
CID 113301298
4-benzyl-3-(2-pyrrolidin-2-ylethyl)-1,2,4-triazole
CID 172908827
3-[(3,4-dichlorophenyl)methylsulfanyl]-4-ethyl-5-(2-phenylethyl)-1,2,4-triazole
CID 17303011
4-benzyl-5-[2-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-[(3,4-dichlorophenyl)methyl]-1,2,4-triazol-3-one
CID 19707304
4-[[3-[(4-benzoyl-N-(3,4-dichlorophenyl)anilino)methyl]-1,2,4-triazol-4-yl]methyl]benzonitrile
CID 23575166
3,7-dibenzyl-1-[(3,4-dichlorophenyl)methyl]purine-2,6-dione
CID 3974517
N-[[2-[(3,4-dichlorophenyl)methyl]-5-phenyltriazol-4-yl]methyl]-2-phenylethanamine
CID 124895635
4-[(3-chlorophenyl)methyl]-1,2,4-triazole-3-carboxylic acid
CID 83897709
1-[(3,4-dichlorophenyl)methyl]-2,3-dimethyl-7-(2-phenylethyl)pyrrolo[2,3-c]pyridine
CID 67142155

Frequently Asked Questions

What is the IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole?
The IUPAC name of 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole (CID 141167255) is 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole.
What is the SMILES notation for 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole?
The canonical SMILES for 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole is Clc1ccc(Cn2cnnc2CCc2ccccc2)cc1Cl.
What is the InChIKey of 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole?
The InChIKey is GZYVVRDSKKUAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3/c18-15-8-6-14(10-16(15)19)11-22-12-20-21-17(22)9-7-13-4-2-1-3-5-13/h1-6,8,10,12H,7,9,11H2.
What are the key properties of 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole?
4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole has a molecular weight of 332.23 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,4-dichlorophenyl)methyl]-3-(2-phenylethyl)-1,2,4-triazole is sourced from PubChem (CID 141167255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).