3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine

C12H16N6O4 — CID 164620136

IUPAC3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine
SMILESCOCCOc1nncc(-c2cnnc(OCCOC)n2)n1
InChIInChI=1S/C12H16N6O4/c1-19-3-5-21-11-15-9(7-13-17-11)10-8-14-18-12(16-10)22-6-4-20-2/h7-8H,3-6H2,1-2H3
InChIKeyCCXZJTUBPJBHQE-UHFFFAOYSA-N
MW308.30 g/mol
LogP-0.23
Rot. Bonds9

About 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine

3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine (PubChem CID 164620136) has the molecular formula C12H16N6O4 and a molecular weight of 308.30 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine
PubChem CID164620136
Molecular FormulaC12H16N6O4
Molecular Weight308.30 g/mol
Exact Mass308.12
IUPAC Name3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine
SMILESCOCCOc1nncc(-c2cnnc(OCCOC)n2)n1
InChIInChI=1S/C12H16N6O4/c1-19-3-5-21-11-15-9(7-13-17-11)10-8-14-18-12(16-10)22-6-4-20-2/h7-8H,3-6H2,1-2H3
InChIKeyCCXZJTUBPJBHQE-UHFFFAOYSA-N
XLogP-0.23
TPSA114.26 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine?
The IUPAC name of 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine (CID 164620136) is 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine.
What is the SMILES notation for 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine?
The canonical SMILES for 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine is COCCOc1nncc(-c2cnnc(OCCOC)n2)n1.
What is the InChIKey of 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine?
The InChIKey is CCXZJTUBPJBHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O4/c1-19-3-5-21-11-15-9(7-13-17-11)10-8-14-18-12(16-10)22-6-4-20-2/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine?
3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine has a molecular weight of 308.30 g/mol, XLogP of -0.23, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine is sourced from PubChem (CID 164620136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).