4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole

C19H20ClN3 — CID 21332087

IUPAC4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole
SMILESCC(C)(C)C(c1ccccc1)(c1ccc(Cl)cc1)n1cnnc1
InChIInChI=1S/C19H20ClN3/c1-18(2,3)19(23-13-21-22-14-23,15-7-5-4-6-8-15)16-9-11-17(20)12-10-16/h4-14H,1-3H3
InChIKeyGRKKJUBJOVFBBX-UHFFFAOYSA-N
MW325.84 g/mol
LogP4.77
Rot. Bonds3

About 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole

4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole (PubChem CID 21332087) has the molecular formula C19H20ClN3 and a molecular weight of 325.84 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole
PubChem CID21332087
Molecular FormulaC19H20ClN3
Molecular Weight325.84 g/mol
Exact Mass325.13
IUPAC Name4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole
SMILESCC(C)(C)C(c1ccccc1)(c1ccc(Cl)cc1)n1cnnc1
InChIInChI=1S/C19H20ClN3/c1-18(2,3)19(23-13-21-22-14-23,15-7-5-4-6-8-15)16-9-11-17(20)12-10-16/h4-14H,1-3H3
InChIKeyGRKKJUBJOVFBBX-UHFFFAOYSA-N
XLogP4.77
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.84
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-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

Fenbuconazole
CID 86138
1-[Bis(4-chlorophenyl)methyl]-1,2,4-triazole
CID 4207739
N-[[4-[(2-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine
CID 16108923
1-[(3R)-3-(4-chlorophenyl)pentyl]-1,2,4-triazole
CID 25170664
1-[(3R)-3-(4-chlorophenyl)heptyl]-1,2,4-triazole
CID 25170869
1-[(3S)-3-(4-chlorophenyl)heptyl]-1,2,4-triazole
CID 25170870
4-[Bis(4-chlorophenyl)methyl]-4H-1,2,4-triazole
CID 44356663
1-[(4-Chlorophenyl)-phenyl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,2,4-triazole
CID 16108924
N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine
CID 24805841
1-[(3S)-3-(4-chlorophenyl)pentyl]-1,2,4-triazole
CID 25170872
(4-tert-Butyl-benzyl)-(2,4-dichloro-benzyl)-[1,2,4]triazol-4-yl-amine
CID 484462
(4-tert-Butyl-benzyl)-(2,4-dichloro-benzyl)-[1,2,4]triazol-1-yl-amine
CID 484463

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole?
The IUPAC name of 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole (CID 21332087) is 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole?
The canonical SMILES for 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole is CC(C)(C)C(c1ccccc1)(c1ccc(Cl)cc1)n1cnnc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole?
The InChIKey is GRKKJUBJOVFBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3/c1-18(2,3)19(23-13-21-22-14-23,15-7-5-4-6-8-15)16-9-11-17(20)12-10-16/h4-14H,1-3H3.
What are the key properties of 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole?
4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole has a molecular weight of 325.84 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-2,2-dimethyl-1-phenylpropyl]-1,2,4-triazole is sourced from PubChem (CID 21332087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).