5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

C8H6Cl2N4 — CID 546718

IUPAC5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C8H6Cl2N4/c9-4-1-2-5(6(10)3-4)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14)
InChIKeyQJMITVPZPBGSTE-UHFFFAOYSA-N
MW229.07 g/mol
LogP2.36
Rot. Bonds1

About 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine

5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 546718) has the molecular formula C8H6Cl2N4 and a molecular weight of 229.07 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine
PubChem CID546718
Molecular FormulaC8H6Cl2N4
Molecular Weight229.07 g/mol
Exact Mass228.00
IUPAC Name5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C8H6Cl2N4/c9-4-1-2-5(6(10)3-4)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14)
InChIKeyQJMITVPZPBGSTE-UHFFFAOYSA-N
XLogP2.36
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.07
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-Phenyl-4H-1,2,4-triazol-3-amine
CID 95778
3-(4-Chlorophenyl)-5-(methylthio)-4H-1,2,4-triazole
CID 449127
3-(4-chlorophenyl)-1H-1,2,4-triazol-5-amine
CID 691412
5-(4-fluorophenyl)-4H-1,2,4-triazol-3-amine
CID 652295
5-(2-chlorophenyl)-4H-1,2,4-triazol-3-amine
CID 5064432
5-(2-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 644851
4H-1,2,4-Triazol-4-amine, 3,5-bis(2-chlorophenyl)-
CID 826306
5-(4-chlorophenyl)-3-phenyl-1H-1,2,4-triazole
CID 4730488
N-[(2-chloro-6-fluorophenyl)methyl]-5-phenyl-1H-1,2,4-triazol-3-amine
CID 130429242
3-(3-chlorophenyl)-5-methyl-1H-1,2,4-triazole
CID 2815832
3,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-4-amine
CID 2768010
1H-1,2,4-Triazole, 3-(4-chlorophenyl)-
CID 90025

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine (CID 546718) is 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is QJMITVPZPBGSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2N4/c9-4-1-2-5(6(10)3-4)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14).
What are the key properties of 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine?
5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 229.07 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 546718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).