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

C11H18Cl2N4 — CID 3107864

IUPAC4,6-dichloro-N-octyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-2-3-4-5-6-7-8-14-11-16-9(12)15-10(13)17-11/h2-8H2,1H3,(H,14,15,16,17)
InChIKeyQJCXYBJWBBTUOQ-UHFFFAOYSA-N
MW277.20 g/mol
LogP3.95
Rot. Bonds8

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

4,6-dichloro-N-octyl-1,3,5-triazin-2-amine (PubChem CID 3107864) has the molecular formula C11H18Cl2N4 and a molecular weight of 277.20 g/mol. Its IUPAC name is 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-octyl-1,3,5-triazin-2-amine
PubChem CID3107864
Molecular FormulaC11H18Cl2N4
Molecular Weight277.20 g/mol
Exact Mass276.09
IUPAC Name4,6-dichloro-N-octyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H18Cl2N4/c1-2-3-4-5-6-7-8-14-11-16-9(12)15-10(13)17-11/h2-8H2,1H3,(H,14,15,16,17)
InChIKeyQJCXYBJWBBTUOQ-UHFFFAOYSA-N
XLogP3.95
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 53.95
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-octyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine (CID 3107864) is 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine is CCCCCCCCNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine?
The InChIKey is QJCXYBJWBBTUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18Cl2N4/c1-2-3-4-5-6-7-8-14-11-16-9(12)15-10(13)17-11/h2-8H2,1H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-octyl-1,3,5-triazin-2-amine has a molecular weight of 277.20 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-octyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3107864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).