N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine

C20H23ClN4 — CID 24805841

IUPACN-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(C(c2cccc(Cl)c2)n2cncn2)cc1
InChIInChI=1S/C20H23ClN4/c1-3-24(4-2)13-16-8-10-17(11-9-16)20(25-15-22-14-23-25)18-6-5-7-19(21)12-18/h5-12,14-15,20H,3-4,13H2,1-2H3
InChIKeyASDKLHHSYYTKSI-UHFFFAOYSA-N
MW354.89 g/mol
LogP4.41
Rot. Bonds7

About N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine

N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine (PubChem CID 24805841) has the molecular formula C20H23ClN4 and a molecular weight of 354.89 g/mol. Its IUPAC name is N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine
PubChem CID24805841
Molecular FormulaC20H23ClN4
Molecular Weight354.89 g/mol
Exact Mass354.16
IUPAC NameN-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine
SMILESCCN(CC)Cc1ccc(C(c2cccc(Cl)c2)n2cncn2)cc1
InChIInChI=1S/C20H23ClN4/c1-3-24(4-2)13-16-8-10-17(11-9-16)20(25-15-22-14-23-25)18-6-5-7-19(21)12-18/h5-12,14-15,20H,3-4,13H2,1-2H3
InChIKeyASDKLHHSYYTKSI-UHFFFAOYSA-N
XLogP4.41
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.89
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine 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

7-(4-Chlorophenyl)-5-phenyl-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 2834904
5-((1H-1,2,4-triazol-1-yl)methyl)-3''-chlorobiphenyl-2-carbonitrile
CID 46228698
1-[Bis(4-chlorophenyl)methyl]-1,2,4-triazole
CID 4207739
1-Benzhydryl-1,2,4-triazole
CID 3361302
7-(3-Chlorophenyl)-5-[4-(propan-2-yl)phenyl]-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4190582
N-[[4-[(2-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine
CID 16108923
4-[Bis(4-chlorophenyl)methyl]-4H-1,2,4-triazole
CID 44356663
2-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-3-(1,2,4-triazol-1-yl)propane-1,2-diamine
CID 51039754
7-(2-Chloro-6-fluorophenyl)-5-(4-ethylphenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine
CID 4357266
1-[(4-Chlorophenyl)-phenyl-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1,2,4-triazole
CID 16108924
5-(4-Chlorophenyl)-7-(4-isopropylphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine
CID 135686007
1-(3-chlorobenzyl)-1H-1,2,4-triazol-3-amine
CID 7019336

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine?
The IUPAC name of N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine (CID 24805841) is N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine.
What is the SMILES notation for N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine?
The canonical SMILES for N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine is CCN(CC)Cc1ccc(C(c2cccc(Cl)c2)n2cncn2)cc1.
What is the InChIKey of N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine?
The InChIKey is ASDKLHHSYYTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4/c1-3-24(4-2)13-16-8-10-17(11-9-16)20(25-15-22-14-23-25)18-6-5-7-19(21)12-18/h5-12,14-15,20H,3-4,13H2,1-2H3.
What are the key properties of N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine?
N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine has a molecular weight of 354.89 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]phenyl]methyl]-N-ethylethanamine is sourced from PubChem (CID 24805841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).