5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole

C15H10Cl2FN3 — CID 166314309

IUPAC5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
SMILESFc1ccc(Cn2nc(-c3ccccc3Cl)nc2Cl)cc1
InChIInChI=1S/C15H10Cl2FN3/c16-13-4-2-1-3-12(13)14-19-15(17)21(20-14)9-10-5-7-11(18)8-6-10/h1-8H,9H2
InChIKeyMQSAGRLWWPZZIZ-UHFFFAOYSA-N
MW322.17 g/mol
LogP4.44
Rot. Bonds3

About 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole

5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole (PubChem CID 166314309) has the molecular formula C15H10Cl2FN3 and a molecular weight of 322.17 g/mol. Its IUPAC name is 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
PubChem CID166314309
Molecular FormulaC15H10Cl2FN3
Molecular Weight322.17 g/mol
Exact Mass321.02
IUPAC Name5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole
SMILESFc1ccc(Cn2nc(-c3ccccc3Cl)nc2Cl)cc1
InChIInChI=1S/C15H10Cl2FN3/c16-13-4-2-1-3-12(13)14-19-15(17)21(20-14)9-10-5-7-11(18)8-6-10/h1-8H,9H2
InChIKeyMQSAGRLWWPZZIZ-UHFFFAOYSA-N
XLogP4.44
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.17
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]pyrazol-4-amine
CID 83204238
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774
3-(2-chlorophenyl)-1-prop-2-enyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 21283809
4,6-dichloro-2-(2-chlorophenyl)-5-fluoropyrimidine
CID 80550476
10-benzyl-4-(2-chlorophenyl)-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 1306623
5-(2-chlorophenyl)-1-propyl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 21283777
2-benzyl-5-(2-chlorophenyl)tetrazole
CID 4809386
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
5-(2-fluorophenyl)-1-[(4-fluorophenyl)methyl]triazole-4-carbonitrile
CID 82203530
3-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]pyrazol-5-amine
CID 43471217
3-chloro-2-[(4-fluorophenyl)methyl]-4,6-dihydrothieno[3,4-c]pyrazole
CID 83192667
2-[(4-fluorophenyl)methyl]indazole
CID 66772041

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
The IUPAC name of 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole (CID 166314309) is 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole is Fc1ccc(Cn2nc(-c3ccccc3Cl)nc2Cl)cc1.
What is the InChIKey of 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
The InChIKey is MQSAGRLWWPZZIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2FN3/c16-13-4-2-1-3-12(13)14-19-15(17)21(20-14)9-10-5-7-11(18)8-6-10/h1-8H,9H2.
What are the key properties of 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole?
5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole has a molecular weight of 322.17 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-(2-chlorophenyl)-1-[(4-fluorophenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 166314309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).