3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride

C10H10Cl3N3 — CID 75481191

IUPAC3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride
SMILESCl.Cn1c(CCl)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2N3.ClH/c1-15-9(6-11)13-14-10(15)7-2-4-8(12)5-3-7;/h2-5H,6H2,1H3;1H
InChIKeyUQHMCZXLQOEGLB-UHFFFAOYSA-N
MW278.57 g/mol
LogP3.30
Rot. Bonds2

About 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride

3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride (PubChem CID 75481191) has the molecular formula C10H10Cl3N3 and a molecular weight of 278.57 g/mol. Its IUPAC name is 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride
PubChem CID75481191
Molecular FormulaC10H10Cl3N3
Molecular Weight278.57 g/mol
Exact Mass276.99
IUPAC Name3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride
SMILESCl.Cn1c(CCl)nnc1-c1ccc(Cl)cc1
InChIInChI=1S/C10H9Cl2N3.ClH/c1-15-9(6-11)13-14-10(15)7-2-4-8(12)5-3-7;/h2-5H,6H2,1H3;1H
InChIKeyUQHMCZXLQOEGLB-UHFFFAOYSA-N
XLogP3.30
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.57
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride?
The IUPAC name of 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride (CID 75481191) is 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride?
The canonical SMILES for 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride is Cl.Cn1c(CCl)nnc1-c1ccc(Cl)cc1.
What is the InChIKey of 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride?
The InChIKey is UQHMCZXLQOEGLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3.ClH/c1-15-9(6-11)13-14-10(15)7-2-4-8(12)5-3-7;/h2-5H,6H2,1H3;1H.
What are the key properties of 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride?
3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride has a molecular weight of 278.57 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-5-(4-chlorophenyl)-4-methyl-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 75481191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).