2,4-dimethoxy-6-propoxy-1,3,5-triazine

C8H13N3O3 — CID 155610324

IUPAC2,4-dimethoxy-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H13N3O3/c1-4-5-14-8-10-6(12-2)9-7(11-8)13-3/h4-5H2,1-3H3
InChIKeyFIIFVKKZMHXPPD-UHFFFAOYSA-N
MW199.21 g/mol
LogP0.68
Rot. Bonds5

About 2,4-dimethoxy-6-propoxy-1,3,5-triazine

2,4-dimethoxy-6-propoxy-1,3,5-triazine (PubChem CID 155610324) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2,4-dimethoxy-6-propoxy-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-propoxy-1,3,5-triazine
PubChem CID155610324
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2,4-dimethoxy-6-propoxy-1,3,5-triazine
SMILESCCCOc1nc(OC)nc(OC)n1
InChIInChI=1S/C8H13N3O3/c1-4-5-14-8-10-6(12-2)9-7(11-8)13-3/h4-5H2,1-3H3
InChIKeyFIIFVKKZMHXPPD-UHFFFAOYSA-N
XLogP0.68
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-propoxy-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-propoxy-1,3,5-triazine (CID 155610324) is 2,4-dimethoxy-6-propoxy-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-propoxy-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-propoxy-1,3,5-triazine is CCCOc1nc(OC)nc(OC)n1.
What is the InChIKey of 2,4-dimethoxy-6-propoxy-1,3,5-triazine?
The InChIKey is FIIFVKKZMHXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-4-5-14-8-10-6(12-2)9-7(11-8)13-3/h4-5H2,1-3H3.
What are the key properties of 2,4-dimethoxy-6-propoxy-1,3,5-triazine?
2,4-dimethoxy-6-propoxy-1,3,5-triazine has a molecular weight of 199.21 g/mol, XLogP of 0.68, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-propoxy-1,3,5-triazine is sourced from PubChem (CID 155610324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).