5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole

C15H12ClN3O — CID 60650933

IUPAC5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(OCc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H12ClN3O/c16-12-6-8-13(9-7-12)20-10-14-17-15(19-18-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18,19)
InChIKeyWGRSSZMTAWJRPK-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.70
Rot. Bonds4

About 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole

5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole (PubChem CID 60650933) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole
PubChem CID60650933
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(OCc2nc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H12ClN3O/c16-12-6-8-13(9-7-12)20-10-14-17-15(19-18-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18,19)
InChIKeyWGRSSZMTAWJRPK-UHFFFAOYSA-N
XLogP3.70
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
CID 155818568
4-{3-[(4-chloro-2-methylphenoxy)methyl]-1H-1,2,4-triazol-5-yl}phenol
CID 2952342
(2R)-2-(3-chlorophenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 32460336
2-(4-chlorophenoxy)-2-methyl-N-(3-phenyl-1H-1,2,4-triazol-5-yl)propanamide
CID 32461058
3-(3,4-Dichloro-benzyl)-5-(3-methoxy-phenyl)-1H-[1,2,4]triazole
CID 44379809
5-[2-(3,4-Dichloro-phenyl)-ethyl]-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole
CID 44379848
5-(3,4-Dichloro-phenyl)-3-(3-methoxy-phenyl)-1H-[1,2,4]triazole
CID 44380120
CID 9551952
CID 9551952
(2R)-2-(4-chlorophenoxy)-N-(5-phenyl-1H-1,2,4-triazol-3-yl)propanamide
CID 32461556
s-Triazole, 3-(4-chloro-o-tolyl)-5-(m-methoxyphenyl)-
CID 173408
3-(5-Chloro-o-tolyl)-5-(m-methoxyphenyl)-s-triazole
CID 174443
5-[4-chloro-2-(2-chlorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
CID 10018962

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole (CID 60650933) is 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole is Clc1ccc(OCc2nc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole?
The InChIKey is WGRSSZMTAWJRPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-12-6-8-13(9-7-12)20-10-14-17-15(19-18-14)11-4-2-1-3-5-11/h1-9H,10H2,(H,17,18,19).
What are the key properties of 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole?
5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole has a molecular weight of 285.73 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenoxy)methyl]-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 60650933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).