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

C19H34ClN3O2 — CID 20574708

IUPAC2-chloro-4,6-dioctoxy-1,3,5-triazine
SMILESCCCCCCCCOc1nc(Cl)nc(OCCCCCCCC)n1
InChIInChI=1S/C19H34ClN3O2/c1-3-5-7-9-11-13-15-24-18-21-17(20)22-19(23-18)25-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyGSHZTSQQBHBEET-UHFFFAOYSA-N
MW371.95 g/mol
LogP6.00
Rot. Bonds16

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

2-chloro-4,6-dioctoxy-1,3,5-triazine (PubChem CID 20574708) has the molecular formula C19H34ClN3O2 and a molecular weight of 371.95 g/mol. Its IUPAC name is 2-chloro-4,6-dioctoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4,6-dioctoxy-1,3,5-triazine
PubChem CID20574708
Molecular FormulaC19H34ClN3O2
Molecular Weight371.95 g/mol
Exact Mass371.23
IUPAC Name2-chloro-4,6-dioctoxy-1,3,5-triazine
SMILESCCCCCCCCOc1nc(Cl)nc(OCCCCCCCC)n1
InChIInChI=1S/C19H34ClN3O2/c1-3-5-7-9-11-13-15-24-18-21-17(20)22-19(23-18)25-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
InChIKeyGSHZTSQQBHBEET-UHFFFAOYSA-N
XLogP6.00
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.95
LogP ≤ 56.00
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dioctoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4,6-dioctoxy-1,3,5-triazine (CID 20574708) is 2-chloro-4,6-dioctoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4,6-dioctoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4,6-dioctoxy-1,3,5-triazine is CCCCCCCCOc1nc(Cl)nc(OCCCCCCCC)n1.
What is the InChIKey of 2-chloro-4,6-dioctoxy-1,3,5-triazine?
The InChIKey is GSHZTSQQBHBEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34ClN3O2/c1-3-5-7-9-11-13-15-24-18-21-17(20)22-19(23-18)25-16-14-12-10-8-6-4-2/h3-16H2,1-2H3.
What are the key properties of 2-chloro-4,6-dioctoxy-1,3,5-triazine?
2-chloro-4,6-dioctoxy-1,3,5-triazine has a molecular weight of 371.95 g/mol, XLogP of 6.00, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dioctoxy-1,3,5-triazine is sourced from PubChem (CID 20574708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).