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

C8H6BrClN4 — CID 107987260

IUPAC5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C8H6BrClN4/c9-6-3-4(10)1-2-5(6)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14)
InChIKeyJVKVBGDBZKSLGI-UHFFFAOYSA-N
MW273.52 g/mol
LogP2.47
Rot. Bonds1

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

5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 107987260) has the molecular formula C8H6BrClN4 and a molecular weight of 273.52 g/mol. Its IUPAC name is 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine
PubChem CID107987260
Molecular FormulaC8H6BrClN4
Molecular Weight273.52 g/mol
Exact Mass271.95
IUPAC Name5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccc(Cl)cc2Br)n1
InChIInChI=1S/C8H6BrClN4/c9-6-3-4(10)1-2-5(6)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14)
InChIKeyJVKVBGDBZKSLGI-UHFFFAOYSA-N
XLogP2.47
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-bromo-4-nitrophenyl)-1H-1,2,4-triazol-3-amine
CID 169499742
5-[4-chloro-2-(2-fluorophenoxy)phenyl]-1H-1,2,4-triazol-3-amine
CID 127025804
5-(2,5-dichlorothiophen-3-yl)-1H-1,2,4-triazol-3-amine
CID 107960252
5-(2-bromo-4-chlorophenyl)-1,2,4-oxadiazol-3-amine
CID 107992789
5-(2-fluoro-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 62516530
5-(2-amino-5-methylphenyl)-1H-1,2,4-triazol-3-amine
CID 61319772
5-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 106818724
5-(5-chloro-1-methylbenzimidazol-2-yl)-1H-1,2,4-triazol-3-amine
CID 62807862
5-[4-(2,4-dichlorophenyl)thieno[2,3-d]pyrimidin-6-yl]-1H-1,2,4-triazol-3-amine
CID 90749819
5-(2-amino-4-methoxyphenyl)-1H-1,2,4-triazol-3-amine
CID 115412365
2-(3-amino-1H-1,2,4-triazol-5-yl)phenol
CID 135649820
5-(3-bromophenyl)-1H-1,2,4-triazol-3-amine
CID 3734662

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine (CID 107987260) is 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccc(Cl)cc2Br)n1.
What is the InChIKey of 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is JVKVBGDBZKSLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN4/c9-6-3-4(10)1-2-5(6)7-12-8(11)14-13-7/h1-3H,(H3,11,12,13,14).
What are the key properties of 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine?
5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 273.52 g/mol, XLogP of 2.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-chlorophenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 107987260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).