2,4,6-triheptoxy-1,3,5-triazine

C24H45N3O3 — CID 132523929

IUPAC2,4,6-triheptoxy-1,3,5-triazine
SMILESCCCCCCCOc1nc(OCCCCCCC)nc(OCCCCCCC)n1
InChIInChI=1S/C24H45N3O3/c1-4-7-10-13-16-19-28-22-25-23(29-20-17-14-11-8-5-2)27-24(26-22)30-21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKeySZZFZRBRHCXSCU-UHFFFAOYSA-N
MW423.64 g/mol
LogP6.92
Rot. Bonds21

About 2,4,6-triheptoxy-1,3,5-triazine

2,4,6-triheptoxy-1,3,5-triazine (PubChem CID 132523929) has the molecular formula C24H45N3O3 and a molecular weight of 423.64 g/mol. Its IUPAC name is 2,4,6-triheptoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4,6-triheptoxy-1,3,5-triazine
PubChem CID132523929
Molecular FormulaC24H45N3O3
Molecular Weight423.64 g/mol
Exact Mass423.35
IUPAC Name2,4,6-triheptoxy-1,3,5-triazine
SMILESCCCCCCCOc1nc(OCCCCCCC)nc(OCCCCCCC)n1
InChIInChI=1S/C24H45N3O3/c1-4-7-10-13-16-19-28-22-25-23(29-20-17-14-11-8-5-2)27-24(26-22)30-21-18-15-12-9-6-3/h4-21H2,1-3H3
InChIKeySZZFZRBRHCXSCU-UHFFFAOYSA-N
XLogP6.92
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds21
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.64
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

s-Triazine, 4,6-diamino-2-hexoxy-
CID 32220
s-Triazine, 4,6-diamino-2-nonoxy-
CID 88171
6-(Octyloxy)-1,3,5-triazine-2,4-diamine
CID 88172
6-(Heptyloxy)-1,3,5-triazine-2,4(1H,3H)-diimine
CID 116004
1,3,5-Triazine-2,4,6-triamine, N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadecyloxy)methyl]-
CID 106496
2,4,6-Trihexyloxy-sym-triazine
CID 129818487
N,N,N',N',N''-pentakis(methoxymethyl)-N''-[(octadecyloxy)methyl]-1,3,5-triazine-2,4,6-triamine
CID 118650
2-Chloro-4,6-bis(octyloxy)-1,3,5-triazine
CID 20574708
2,4,6-Tris(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptoxy)-1,3,5-triazine
CID 425024
2,4-Dichloro-6-(decyloxy)-1,3,5-triazine
CID 11970986
2,4-Dichloro-6-(octadecyloxy)-1,3,5-triazine
CID 11970992
2-N-[difluoro(heptoxy)methyl]-2-N,4-N,4-N,6-N,6-N-pentakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 18431957

Frequently Asked Questions

What is the IUPAC name of 2,4,6-triheptoxy-1,3,5-triazine?
The IUPAC name of 2,4,6-triheptoxy-1,3,5-triazine (CID 132523929) is 2,4,6-triheptoxy-1,3,5-triazine.
What is the SMILES notation for 2,4,6-triheptoxy-1,3,5-triazine?
The canonical SMILES for 2,4,6-triheptoxy-1,3,5-triazine is CCCCCCCOc1nc(OCCCCCCC)nc(OCCCCCCC)n1.
What is the InChIKey of 2,4,6-triheptoxy-1,3,5-triazine?
The InChIKey is SZZFZRBRHCXSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3O3/c1-4-7-10-13-16-19-28-22-25-23(29-20-17-14-11-8-5-2)27-24(26-22)30-21-18-15-12-9-6-3/h4-21H2,1-3H3.
What are the key properties of 2,4,6-triheptoxy-1,3,5-triazine?
2,4,6-triheptoxy-1,3,5-triazine has a molecular weight of 423.64 g/mol, XLogP of 6.92, 21 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-triheptoxy-1,3,5-triazine is sourced from PubChem (CID 132523929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).