2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine

C9H11Br2N3O — CID 22151733

IUPAC2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine
SMILESBrc1nc(Br)nc(OC2CCCCC2)n1
InChIInChI=1S/C9H11Br2N3O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyLMTZVVDNJCTVFA-UHFFFAOYSA-N
MW337.02 g/mol
LogP3.11
Rot. Bonds2

About 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine

2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine (PubChem CID 22151733) has the molecular formula C9H11Br2N3O and a molecular weight of 337.02 g/mol. Its IUPAC name is 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine
PubChem CID22151733
Molecular FormulaC9H11Br2N3O
Molecular Weight337.02 g/mol
Exact Mass334.93
IUPAC Name2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine
SMILESBrc1nc(Br)nc(OC2CCCCC2)n1
InChIInChI=1S/C9H11Br2N3O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyLMTZVVDNJCTVFA-UHFFFAOYSA-N
XLogP3.11
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.02
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine?
The IUPAC name of 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine (CID 22151733) is 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine?
The canonical SMILES for 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine is Brc1nc(Br)nc(OC2CCCCC2)n1.
What is the InChIKey of 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine?
The InChIKey is LMTZVVDNJCTVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br2N3O/c10-7-12-8(11)14-9(13-7)15-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine?
2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine has a molecular weight of 337.02 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-cyclohexyloxy-1,3,5-triazine is sourced from PubChem (CID 22151733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).