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

C11H11ClFN3 — CID 63384652

IUPAC3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1Cc1cccc(F)c1
InChIInChI=1S/C11H11ClFN3/c1-2-10-14-15-11(12)16(10)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3
InChIKeyCZGMHFWXMFFKQS-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.68
Rot. Bonds3

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

3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole (PubChem CID 63384652) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole
PubChem CID63384652
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole
SMILESCCc1nnc(Cl)n1Cc1cccc(F)c1
InChIInChI=1S/C11H11ClFN3/c1-2-10-14-15-11(12)16(10)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3
InChIKeyCZGMHFWXMFFKQS-UHFFFAOYSA-N
XLogP2.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-5-ethyl-4-[(3-methylphenyl)methyl]-1,2,4-triazole
CID 63385767
3-ethyl-5-[(3-fluorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazole
CID 19716547
5-chloro-4-(chloromethyl)-3-ethyl-1-[(3-fluorophenyl)methyl]pyrazole
CID 63279061
3-(chloromethyl)-5-ethyl-4-(3-fluorophenyl)-1,2,4-triazole
CID 83968054
5-chloro-1-[(3-fluorophenyl)methyl]-3-propan-2-ylpyrazole
CID 66014899
5-chloro-1-[(3-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
CID 141136075
6-chloro-2-(1-chloroethyl)-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115470870
(1S)-1-[5,6-dichloro-1-[(3-fluorophenyl)methyl]benzimidazol-2-yl]butan-1-amine
CID 54757553
ethane;5-ethyl-1-[(3-fluorophenyl)methyl]imidazole
CID 91389513
2-(chloromethyl)-6,7-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 62532382
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115509080
1-benzyl-4-[(3-fluorophenyl)methyl]piperazine
CID 764596

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole?
The IUPAC name of 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole (CID 63384652) is 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole.
What is the SMILES notation for 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole?
The canonical SMILES for 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole is CCc1nnc(Cl)n1Cc1cccc(F)c1.
What is the InChIKey of 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole?
The InChIKey is CZGMHFWXMFFKQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFN3/c1-2-10-14-15-11(12)16(10)7-8-4-3-5-9(13)6-8/h3-6H,2,7H2,1H3.
What are the key properties of 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole?
3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole has a molecular weight of 239.68 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethyl-4-[(3-fluorophenyl)methyl]-1,2,4-triazole is sourced from PubChem (CID 63384652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).