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

C7H9Cl2N3O — CID 26302

IUPAC2-butoxy-4,6-dichloro-1,3,5-triazine
SMILESCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3
InChIKeyZTNVNAIEXWYGML-UHFFFAOYSA-N
MW222.07 g/mol
LogP2.36
Rot. Bonds4

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

2-butoxy-4,6-dichloro-1,3,5-triazine (PubChem CID 26302) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is 2-butoxy-4,6-dichloro-1,3,5-triazine.

Molecular Properties

Compound Name2-butoxy-4,6-dichloro-1,3,5-triazine
PubChem CID26302
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name2-butoxy-4,6-dichloro-1,3,5-triazine
SMILESCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H9Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3
InChIKeyZTNVNAIEXWYGML-UHFFFAOYSA-N
XLogP2.36
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 52.36
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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Related Compounds

6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
2,4-Diamino-6-butoxy-s-triazine
CID 32856
2,4-Dichloro-6-isopropoxy-1,3,5-triazine
CID 23154
2,4-Dichloro-6-ethoxy-1,3,5-triazine
CID 29035
2,4-Dichloro-6-propoxy-1,3,5-triazine
CID 33570
2-Chloro-4,6-diethoxy-1,3,5-triazine
CID 35649
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2,4-Dichloro-6-(2-methoxyethoxy)-1,3,5-triazine
CID 19026146
s-Triazine, 2-amino-4-chloro-6-ethoxy-
CID 167705
2,4-Dichloro-6-(2-ethoxyethoxy)-1,3,5-triazine
CID 11970432
2-Butoxy-4,6-difluoro-1,3,5-triazine
CID 20403086
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4,6-dichloro-1,3,5-triazine?
The IUPAC name of 2-butoxy-4,6-dichloro-1,3,5-triazine (CID 26302) is 2-butoxy-4,6-dichloro-1,3,5-triazine.
What is the SMILES notation for 2-butoxy-4,6-dichloro-1,3,5-triazine?
The canonical SMILES for 2-butoxy-4,6-dichloro-1,3,5-triazine is CCCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2-butoxy-4,6-dichloro-1,3,5-triazine?
The InChIKey is ZTNVNAIEXWYGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O/c1-2-3-4-13-7-11-5(8)10-6(9)12-7/h2-4H2,1H3.
What are the key properties of 2-butoxy-4,6-dichloro-1,3,5-triazine?
2-butoxy-4,6-dichloro-1,3,5-triazine has a molecular weight of 222.07 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4,6-dichloro-1,3,5-triazine is sourced from PubChem (CID 26302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).