4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole

C10H9ClFN3 — CID 56769520

IUPAC4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole
SMILESCc1c(CCl)nnn1-c1cccc(F)c1
InChIInChI=1S/C10H9ClFN3/c1-7-10(6-11)13-14-15(7)9-4-2-3-8(12)5-9/h2-5H,6H2,1H3
InChIKeyFURNCFXMIAJGDO-UHFFFAOYSA-N
MW225.65 g/mol
LogP2.45
Rot. Bonds2

About 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole

4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole (PubChem CID 56769520) has the molecular formula C10H9ClFN3 and a molecular weight of 225.65 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole
PubChem CID56769520
Molecular FormulaC10H9ClFN3
Molecular Weight225.65 g/mol
Exact Mass225.05
IUPAC Name4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole
SMILESCc1c(CCl)nnn1-c1cccc(F)c1
InChIInChI=1S/C10H9ClFN3/c1-7-10(6-11)13-14-15(7)9-4-2-3-8(12)5-9/h2-5H,6H2,1H3
InChIKeyFURNCFXMIAJGDO-UHFFFAOYSA-N
XLogP2.45
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.65
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole 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

4-(chloromethyl)-1-(3-fluorophenyl)-5-methylpyrazole
CID 66437732
[1-(3-fluorophenyl)-5-(methoxymethyl)triazol-4-yl]methanol
CID 56686728
4-(chloromethyl)-1-(3,5-difluorophenyl)-5-(3-methylphenyl)triazole
CID 56769798
[1-(3-fluorophenyl)-5-(trichloromethyl)triazol-4-yl]methanamine
CID 94937660
methyl 1-(3-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 94068963
3-(chloromethyl)-4-(3-fluorophenyl)-5-methyl-1,2,4-triazole
CID 83968053
4-(chloromethyl)-1,5-bis(3-methylphenyl)triazole
CID 56769786
[5-(3-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanamine
CID 82197137
(3-methylphenyl)methyl 1-(3-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 50764009
[5-(2-chlorophenyl)-1-(3-fluorophenyl)triazol-4-yl]methanol
CID 82197077
[1-(3-ethylphenyl)-5-methyltriazol-4-yl]methanol
CID 94068870
[1-(3-methoxyphenyl)-5-methyltriazol-4-yl]methanamine
CID 28911796

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole?
The IUPAC name of 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole (CID 56769520) is 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole.
What is the SMILES notation for 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole?
The canonical SMILES for 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole is Cc1c(CCl)nnn1-c1cccc(F)c1.
What is the InChIKey of 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole?
The InChIKey is FURNCFXMIAJGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClFN3/c1-7-10(6-11)13-14-15(7)9-4-2-3-8(12)5-9/h2-5H,6H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole?
4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole has a molecular weight of 225.65 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3-fluorophenyl)-5-methyltriazole is sourced from PubChem (CID 56769520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).