1-(2-iodophenyl)triazol-4-amine

C8H7IN4 — CID 79502430

IUPAC1-(2-iodophenyl)triazol-4-amine
SMILESNc1cn(-c2ccccc2I)nn1
InChIInChI=1S/C8H7IN4/c9-6-3-1-2-4-7(6)13-5-8(10)11-12-13/h1-5H,10H2
InChIKeyVGIKIHWHXQFMTN-UHFFFAOYSA-N
MW286.08 g/mol
LogP1.45
Rot. Bonds1

About 1-(2-iodophenyl)triazol-4-amine

1-(2-iodophenyl)triazol-4-amine (PubChem CID 79502430) has the molecular formula C8H7IN4 and a molecular weight of 286.08 g/mol. Its IUPAC name is 1-(2-iodophenyl)triazol-4-amine.

Molecular Properties

Compound Name1-(2-iodophenyl)triazol-4-amine
PubChem CID79502430
Molecular FormulaC8H7IN4
Molecular Weight286.08 g/mol
Exact Mass285.97
IUPAC Name1-(2-iodophenyl)triazol-4-amine
SMILESNc1cn(-c2ccccc2I)nn1
InChIInChI=1S/C8H7IN4/c9-6-3-1-2-4-7(6)13-5-8(10)11-12-13/h1-5H,10H2
InChIKeyVGIKIHWHXQFMTN-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-iodophenyl)triazol-4-amine?
The IUPAC name of 1-(2-iodophenyl)triazol-4-amine (CID 79502430) is 1-(2-iodophenyl)triazol-4-amine.
What is the SMILES notation for 1-(2-iodophenyl)triazol-4-amine?
The canonical SMILES for 1-(2-iodophenyl)triazol-4-amine is Nc1cn(-c2ccccc2I)nn1.
What is the InChIKey of 1-(2-iodophenyl)triazol-4-amine?
The InChIKey is VGIKIHWHXQFMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN4/c9-6-3-1-2-4-7(6)13-5-8(10)11-12-13/h1-5H,10H2.
What are the key properties of 1-(2-iodophenyl)triazol-4-amine?
1-(2-iodophenyl)triazol-4-amine has a molecular weight of 286.08 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)triazol-4-amine is sourced from PubChem (CID 79502430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).