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

C13H21Cl2N3O — CID 11970986

IUPAC2,4-dichloro-6-decoxy-1,3,5-triazine
SMILESCCCCCCCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H21Cl2N3O/c1-2-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15)18-13/h2-10H2,1H3
InChIKeyVBONADQAUSIQTL-UHFFFAOYSA-N
MW306.24 g/mol
LogP4.70
Rot. Bonds10

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

2,4-dichloro-6-decoxy-1,3,5-triazine (PubChem CID 11970986) has the molecular formula C13H21Cl2N3O and a molecular weight of 306.24 g/mol. Its IUPAC name is 2,4-dichloro-6-decoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-decoxy-1,3,5-triazine
PubChem CID11970986
Molecular FormulaC13H21Cl2N3O
Molecular Weight306.24 g/mol
Exact Mass305.11
IUPAC Name2,4-dichloro-6-decoxy-1,3,5-triazine
SMILESCCCCCCCCCCOc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C13H21Cl2N3O/c1-2-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15)18-13/h2-10H2,1H3
InChIKeyVBONADQAUSIQTL-UHFFFAOYSA-N
XLogP4.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 54.70
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

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
2,4-Dichloro-6-[3-(heptadecafluorooctyl)propoxy]-1,3,5-triazine
CID 91504284
2-Chloro-4,6-bis(octyloxy)-1,3,5-triazine
CID 20574708
2,4-Dichloro-6-(octadecyloxy)-1,3,5-triazine
CID 11970992
2,4,6-Tri-dodecyloxy-s-triazine
CID 543725
1,3,5-Triazine, 2-chloro-4,6-bis(dodecyloxy)-
CID 590644
2,4-Dichloro-6-pentoxy-1,3,5-triazine
CID 14916844
2,4-Dichloro-6-(octyloxy)-1,3,5-triazine
CID 14916845
2,4,6-Tris-decoxy-1,3,5-triazine
CID 70616371
2,4-Dichloro-6-(tetradecyloxy)-1,3,5-triazine
CID 11970987

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-decoxy-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-decoxy-1,3,5-triazine (CID 11970986) is 2,4-dichloro-6-decoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-decoxy-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-decoxy-1,3,5-triazine is CCCCCCCCCCOc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-decoxy-1,3,5-triazine?
The InChIKey is VBONADQAUSIQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21Cl2N3O/c1-2-3-4-5-6-7-8-9-10-19-13-17-11(14)16-12(15)18-13/h2-10H2,1H3.
What are the key properties of 2,4-dichloro-6-decoxy-1,3,5-triazine?
2,4-dichloro-6-decoxy-1,3,5-triazine has a molecular weight of 306.24 g/mol, XLogP of 4.70, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-decoxy-1,3,5-triazine is sourced from PubChem (CID 11970986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).