6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine

C9H8IN5 — CID 12852430

IUPAC6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cccc(I)c2)n1
InChIInChI=1S/C9H8IN5/c10-6-3-1-2-5(4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKeyLOQKVNOXIJNYHA-UHFFFAOYSA-N
MW313.10 g/mol
LogP1.31
Rot. Bonds1

About 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine

6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 12852430) has the molecular formula C9H8IN5 and a molecular weight of 313.10 g/mol. Its IUPAC name is 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine
PubChem CID12852430
Molecular FormulaC9H8IN5
Molecular Weight313.10 g/mol
Exact Mass312.98
IUPAC Name6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2cccc(I)c2)n1
InChIInChI=1S/C9H8IN5/c10-6-3-1-2-5(4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15)
InChIKeyLOQKVNOXIJNYHA-UHFFFAOYSA-N
XLogP1.31
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.10
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine (CID 12852430) is 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2cccc(I)c2)n1.
What is the InChIKey of 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LOQKVNOXIJNYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8IN5/c10-6-3-1-2-5(4-6)7-13-8(11)15-9(12)14-7/h1-4H,(H4,11,12,13,14,15).
What are the key properties of 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine?
6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 313.10 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodophenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 12852430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).