2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane

C7H12ClN3O2 — CID 142358243

IUPAC2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane
SMILESCC.COc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H6ClN3O2.C2H6/c1-10-4-7-3(6)8-5(9-4)11-2;1-2/h1-2H3;1-2H3
InChIKeyFPNBVHJARKKAOM-UHFFFAOYSA-N
MW205.65 g/mol
LogP1.57
Rot. Bonds2

About 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane

2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane (PubChem CID 142358243) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane
PubChem CID142358243
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane
SMILESCC.COc1nc(Cl)nc(OC)n1
InChIInChI=1S/C5H6ClN3O2.C2H6/c1-10-4-7-3(6)8-5(9-4)11-2;1-2/h1-2H3;1-2H3
InChIKeyFPNBVHJARKKAOM-UHFFFAOYSA-N
XLogP1.57
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane?
The IUPAC name of 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane (CID 142358243) is 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane.
What is the SMILES notation for 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane?
The canonical SMILES for 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane is CC.COc1nc(Cl)nc(OC)n1.
What is the InChIKey of 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane?
The InChIKey is FPNBVHJARKKAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6ClN3O2.C2H6/c1-10-4-7-3(6)8-5(9-4)11-2;1-2/h1-2H3;1-2H3.
What are the key properties of 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane?
2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane has a molecular weight of 205.65 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethoxy-1,3,5-triazine;ethane is sourced from PubChem (CID 142358243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).