2,4-dibutoxy-6-chloro-1,3,5-triazine

C11H18ClN3O2 — CID 22590452

IUPAC2,4-dibutoxy-6-chloro-1,3,5-triazine
SMILESCCCCOc1nc(Cl)nc(OCCCC)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-5-7-16-10-13-9(12)14-11(15-10)17-8-6-4-2/h3-8H2,1-2H3
InChIKeyPPRMOCUVAWYCTD-UHFFFAOYSA-N
MW259.74 g/mol
LogP2.88
Rot. Bonds8

About 2,4-dibutoxy-6-chloro-1,3,5-triazine

2,4-dibutoxy-6-chloro-1,3,5-triazine (PubChem CID 22590452) has the molecular formula C11H18ClN3O2 and a molecular weight of 259.74 g/mol. Its IUPAC name is 2,4-dibutoxy-6-chloro-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dibutoxy-6-chloro-1,3,5-triazine
PubChem CID22590452
Molecular FormulaC11H18ClN3O2
Molecular Weight259.74 g/mol
Exact Mass259.11
IUPAC Name2,4-dibutoxy-6-chloro-1,3,5-triazine
SMILESCCCCOc1nc(Cl)nc(OCCCC)n1
InChIInChI=1S/C11H18ClN3O2/c1-3-5-7-16-10-13-9(12)14-11(15-10)17-8-6-4-2/h3-8H2,1-2H3
InChIKeyPPRMOCUVAWYCTD-UHFFFAOYSA-N
XLogP2.88
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Butoxy-4,6-dichloro-1,3,5-triazine
CID 26302
2,4,6-Triethoxy-1,3,5-triazine
CID 13440
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-Chloro-4,6-di-(2-methoxyethoxy)-1,3,5-triazine
CID 85702124
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2,4,6-Tri(propan-2-yloxy)-1,3,5-triazine
CID 34531
2-Chloro-4,6-bis(propan-2-yloxy)-1,3,5-triazine
CID 35650
2,4,6-Tris(2-methylpropoxy)-1,3,5-triazine
CID 35675
2,4,6-Tris(3-methylbutoxy)-1,3,5-triazine
CID 231300

Frequently Asked Questions

What is the IUPAC name of 2,4-dibutoxy-6-chloro-1,3,5-triazine?
The IUPAC name of 2,4-dibutoxy-6-chloro-1,3,5-triazine (CID 22590452) is 2,4-dibutoxy-6-chloro-1,3,5-triazine.
What is the SMILES notation for 2,4-dibutoxy-6-chloro-1,3,5-triazine?
The canonical SMILES for 2,4-dibutoxy-6-chloro-1,3,5-triazine is CCCCOc1nc(Cl)nc(OCCCC)n1.
What is the InChIKey of 2,4-dibutoxy-6-chloro-1,3,5-triazine?
The InChIKey is PPRMOCUVAWYCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O2/c1-3-5-7-16-10-13-9(12)14-11(15-10)17-8-6-4-2/h3-8H2,1-2H3.
What are the key properties of 2,4-dibutoxy-6-chloro-1,3,5-triazine?
2,4-dibutoxy-6-chloro-1,3,5-triazine has a molecular weight of 259.74 g/mol, XLogP of 2.88, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibutoxy-6-chloro-1,3,5-triazine is sourced from PubChem (CID 22590452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).