2,4-dichloro-6-pentoxy-1,3,5-triazine

C8H11Cl2N3O — CID 14916844

IUPAC2,4-dichloro-6-pentoxy-1,3,5-triazine
SMILESCCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3
InChIKeyWORILAXERMDLCX-UHFFFAOYSA-N
MW236.10 g/mol
LogP2.75
Rot. Bonds5

About 2,4-dichloro-6-pentoxy-1,3,5-triazine

2,4-dichloro-6-pentoxy-1,3,5-triazine (PubChem CID 14916844) has the molecular formula C8H11Cl2N3O and a molecular weight of 236.10 g/mol. Its IUPAC name is 2,4-dichloro-6-pentoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-pentoxy-1,3,5-triazine
PubChem CID14916844
Molecular FormulaC8H11Cl2N3O
Molecular Weight236.10 g/mol
Exact Mass235.03
IUPAC Name2,4-dichloro-6-pentoxy-1,3,5-triazine
SMILESCCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3
InChIKeyWORILAXERMDLCX-UHFFFAOYSA-N
XLogP2.75
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.10
LogP ≤ 52.75
H-Bond Donors ≤ 50
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 2,4-dichloro-6-pentoxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-pentoxy-1,3,5-triazine (CID 14916844) is 2,4-dichloro-6-pentoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-pentoxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-pentoxy-1,3,5-triazine is CCCCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-pentoxy-1,3,5-triazine?
The InChIKey is WORILAXERMDLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3.
What are the key properties of 2,4-dichloro-6-pentoxy-1,3,5-triazine?
2,4-dichloro-6-pentoxy-1,3,5-triazine has a molecular weight of 236.10 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-pentoxy-1,3,5-triazine is sourced from PubChem (CID 14916844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).