4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine

C9H14Cl2N4 — CID 12937544

IUPAC4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine
SMILESCCCCCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-2-3-4-5-6-12-9-14-7(10)13-8(11)15-9/h2-6H2,1H3,(H,12,13,14,15)
InChIKeyQEIGXPSVULXMGM-UHFFFAOYSA-N
MW249.14 g/mol
LogP3.17
Rot. Bonds6

About 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine

4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine (PubChem CID 12937544) has the molecular formula C9H14Cl2N4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine
PubChem CID12937544
Molecular FormulaC9H14Cl2N4
Molecular Weight249.14 g/mol
Exact Mass248.06
IUPAC Name4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine
SMILESCCCCCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C9H14Cl2N4/c1-2-3-4-5-6-12-9-14-7(10)13-8(11)15-9/h2-6H2,1H3,(H,12,13,14,15)
InChIKeyQEIGXPSVULXMGM-UHFFFAOYSA-N
XLogP3.17
TPSA50.70 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 ≤ 53.17
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 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine (CID 12937544) is 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine is CCCCCCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine?
The InChIKey is QEIGXPSVULXMGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14Cl2N4/c1-2-3-4-5-6-12-9-14-7(10)13-8(11)15-9/h2-6H2,1H3,(H,12,13,14,15).
What are the key properties of 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine has a molecular weight of 249.14 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-hexyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 12937544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).