3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine

C14H10Cl2N4 — CID 826306

IUPAC3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N4/c15-11-7-3-1-5-9(11)13-18-19-14(20(13)17)10-6-2-4-8-12(10)16/h1-8H,17H2
InChIKeyIAEMMAYBTOLSEH-UHFFFAOYSA-N
MW305.17 g/mol
LogP3.63
Rot. Bonds2

About 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine

3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine (PubChem CID 826306) has the molecular formula C14H10Cl2N4 and a molecular weight of 305.17 g/mol. Its IUPAC name is 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine
PubChem CID826306
Molecular FormulaC14H10Cl2N4
Molecular Weight305.17 g/mol
Exact Mass304.03
IUPAC Name3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine
SMILESNn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl
InChIInChI=1S/C14H10Cl2N4/c15-11-7-3-1-5-9(11)13-18-19-14(20(13)17)10-6-2-4-8-12(10)16/h1-8H,17H2
InChIKeyIAEMMAYBTOLSEH-UHFFFAOYSA-N
XLogP3.63
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.17
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine 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

3,5-Diphenyl-1H-1,2,4-triazole
CID 16260
1,3,4-Thiadiazole, 3,5-bis(2-chlorophenyl)-
CID 198531
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
3-(2-chlorophenyl)-5-(1-(4-chlorophenyl)cyclobutyl)-4-methyl-4H-1,2,4-triazole
CID 9998483
3,5-Diphenyl-4H-1,2,4-triazol-4-amine
CID 229821
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432
Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 644851
5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 4730488
3-(2-Chlorophenyl)-4-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 11522916
3-(2-Chloro-4-fluorophenyl)-5-(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11587817
3,5-Bis(2-chlorophenyl)-4-methyl-1,2,4-triazole
CID 11659479

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine?
The IUPAC name of 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine (CID 826306) is 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine is Nn1c(-c2ccccc2Cl)nnc1-c1ccccc1Cl.
What is the InChIKey of 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine?
The InChIKey is IAEMMAYBTOLSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4/c15-11-7-3-1-5-9(11)13-18-19-14(20(13)17)10-6-2-4-8-12(10)16/h1-8H,17H2.
What are the key properties of 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine?
3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine has a molecular weight of 305.17 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-chlorophenyl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 826306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).