4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole

C20H21Cl2N3 — CID 24954864

IUPAC4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole
SMILESCCCCCn1nc(-c2ccc(C)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H21Cl2N3/c1-3-4-5-12-25-23-19(15-8-6-14(2)7-9-15)20(24-25)17-11-10-16(21)13-18(17)22/h6-11,13H,3-5,12H2,1-2H3
InChIKeyLVQLSPABOKXLJO-UHFFFAOYSA-N
MW374.32 g/mol
LogP6.42
Rot. Bonds6

About 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole

4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole (PubChem CID 24954864) has the molecular formula C20H21Cl2N3 and a molecular weight of 374.32 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole
PubChem CID24954864
Molecular FormulaC20H21Cl2N3
Molecular Weight374.32 g/mol
Exact Mass373.11
IUPAC Name4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole
SMILESCCCCCn1nc(-c2ccc(C)cc2)c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C20H21Cl2N3/c1-3-4-5-12-25-23-19(15-8-6-14(2)7-9-15)20(24-25)17-11-10-16(21)13-18(17)22/h6-11,13H,3-5,12H2,1-2H3
InChIKeyLVQLSPABOKXLJO-UHFFFAOYSA-N
XLogP6.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.32
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-adamantyl)-4-(2,4-dichlorophenyl)-5-(4-methylphenyl)triazole
CID 69293410
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 59363260
3-(2,4-dichlorophenyl)-5-ethyl-6-(4-methylphenyl)-1,2,4-triazine
CID 6405156
5-(2,4-dichlorophenyl)-3-propylimidazol-4-amine
CID 62018478
2-[4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)triazol-2-yl]-N-piperidin-1-ylacetamide
CID 59363248
N-butyl-2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-amine
CID 69338112
4-chloro-6-(2,4-dichlorophenyl)-5-methyl-2-propylpyrimidine
CID 80975712
1-chloro-4-methylbenzene;pentane
CID 142041532
2-(2,4-dichlorophenyl)-3,5-dimethylpyridine
CID 12513322
6-(2,4-dichlorophenyl)-1,3-bis(4-methylphenyl)-4-(trifluoromethyl)pyrazolo[5,4-b]pyridine
CID 17308154
1-chloro-4-methylbenzene;1,2,4-trichlorobenzene
CID 90450640
butyl 2-[4,5-bis(2,4-dichlorophenyl)triazol-1-yl]acetate
CID 44571428

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole?
The IUPAC name of 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole (CID 24954864) is 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole?
The canonical SMILES for 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole is CCCCCn1nc(-c2ccc(C)cc2)c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole?
The InChIKey is LVQLSPABOKXLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N3/c1-3-4-5-12-25-23-19(15-8-6-14(2)7-9-15)20(24-25)17-11-10-16(21)13-18(17)22/h6-11,13H,3-5,12H2,1-2H3.
What are the key properties of 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole?
4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole has a molecular weight of 374.32 g/mol, XLogP of 6.42, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-5-(4-methylphenyl)-2-pentyltriazole is sourced from PubChem (CID 24954864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).