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

C8H7BrN4 — CID 2859280

IUPAC5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2Br)n1
InChIInChI=1S/C8H7BrN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
InChIKeyCXRHBUWCLZAXAC-UHFFFAOYSA-N
MW239.08 g/mol
LogP1.82
Rot. Bonds1

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

5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine (PubChem CID 2859280) has the molecular formula C8H7BrN4 and a molecular weight of 239.08 g/mol. Its IUPAC name is 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine
PubChem CID2859280
Molecular FormulaC8H7BrN4
Molecular Weight239.08 g/mol
Exact Mass237.99
IUPAC Name5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ccccc2Br)n1
InChIInChI=1S/C8H7BrN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
InChIKeyCXRHBUWCLZAXAC-UHFFFAOYSA-N
XLogP1.82
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.08
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine (CID 2859280) is 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ccccc2Br)n1.
What is the InChIKey of 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine?
The InChIKey is CXRHBUWCLZAXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13).
What are the key properties of 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine?
5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine has a molecular weight of 239.08 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 2859280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).