5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole

C12H8ClN3O — CID 106688168

IUPAC5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(-c2nc(-c3ccccc3)n[nH]2)o1
InChIInChI=1S/C12H8ClN3O/c13-10-7-6-9(17-10)12-14-11(15-16-12)8-4-2-1-3-5-8/h1-7H,(H,14,15,16)
InChIKeyBICLIRNUYBMCGZ-UHFFFAOYSA-N
MW245.67 g/mol
LogP3.39
Rot. Bonds2

About 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole

5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole (PubChem CID 106688168) has the molecular formula C12H8ClN3O and a molecular weight of 245.67 g/mol. Its IUPAC name is 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole
PubChem CID106688168
Molecular FormulaC12H8ClN3O
Molecular Weight245.67 g/mol
Exact Mass245.04
IUPAC Name5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole
SMILESClc1ccc(-c2nc(-c3ccccc3)n[nH]2)o1
InChIInChI=1S/C12H8ClN3O/c13-10-7-6-9(17-10)12-14-11(15-16-12)8-4-2-1-3-5-8/h1-7H,(H,14,15,16)
InChIKeyBICLIRNUYBMCGZ-UHFFFAOYSA-N
XLogP3.39
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-bis(4-phenylphenyl)-1H-1,2,4-triazole
CID 150089010
4-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 4570745
3,5-diphenyl-1H-1,2,4-triazole;2H-triazole
CID 175519989
2-chloro-6-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 107051661
5-(4-chloro-2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61354585
4-chloro-3-(3-phenyl-1H-1,2,4-triazol-5-yl)aniline
CID 61354596
5-(2-fluorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 61343278
3-methylsulfanyl-5-(5-phenylfuran-2-yl)-1H-1,2,4-triazole
CID 126620408
4-(3-phenyl-1H-1,2,4-triazol-5-yl)benzonitrile
CID 61352383
ethane;2-(3-phenyl-1H-1,2,4-triazol-5-yl)pyridine
CID 143481678
3-(3-bromo-4-chlorophenyl)-5-phenyl-1H-1,2,4-triazole
CID 107989225
5-(4,5-dibromothiophen-2-yl)-3-phenyl-1H-1,2,4-triazole
CID 80537623

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole?
The IUPAC name of 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole (CID 106688168) is 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole?
The canonical SMILES for 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole is Clc1ccc(-c2nc(-c3ccccc3)n[nH]2)o1.
What is the InChIKey of 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole?
The InChIKey is BICLIRNUYBMCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3O/c13-10-7-6-9(17-10)12-14-11(15-16-12)8-4-2-1-3-5-8/h1-7H,(H,14,15,16).
What are the key properties of 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole?
5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole has a molecular weight of 245.67 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorofuran-2-yl)-3-phenyl-1H-1,2,4-triazole is sourced from PubChem (CID 106688168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).