6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine

C9H14Cl2N4 — CID 87260113

IUPAC6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine
SMILESNCCCCCCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c10-8-13-7(14-9(11)15-8)5-3-1-2-4-6-12/h1-6,12H2
InChIKeyAZTRWASTBSRKOL-UHFFFAOYSA-N
MW249.14 g/mol
LogP2.24
Rot. Bonds6

About 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine

6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine (PubChem CID 87260113) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine.

Molecular Properties

Compound Name6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine
PubChem CID87260113
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine
SMILESNCCCCCCc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c10-8-13-7(14-9(11)15-8)5-3-1-2-4-6-12/h1-6,12H2
InChIKeyAZTRWASTBSRKOL-UHFFFAOYSA-N
XLogP2.24
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine?
The IUPAC name of 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine (CID 87260113) is 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine.
What is the SMILES notation for 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine?
The canonical SMILES for 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine is NCCCCCCc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine?
The InChIKey is AZTRWASTBSRKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c10-8-13-7(14-9(11)15-8)5-3-1-2-4-6-12/h1-6,12H2.
What are the key properties of 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine?
6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine has a molecular weight of 249.14 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dichloro-1,3,5-triazin-2-yl)hexan-1-amine is sourced from PubChem (CID 87260113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).