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

C5H5Cl2N3O — CID 81037904

IUPAC3,6-dichloro-5-ethoxy-1,2,4-triazine
SMILESCCOc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H5Cl2N3O/c1-2-11-4-3(6)9-10-5(7)8-4/h2H2,1H3
InChIKeyGINGXKCDGANVFU-UHFFFAOYSA-N
MW194.02 g/mol
LogP1.58
Rot. Bonds2

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

3,6-dichloro-5-ethoxy-1,2,4-triazine (PubChem CID 81037904) has the molecular formula C5H5Cl2N3O and a molecular weight of 194.02 g/mol. Its IUPAC name is 3,6-dichloro-5-ethoxy-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-ethoxy-1,2,4-triazine
PubChem CID81037904
Molecular FormulaC5H5Cl2N3O
Molecular Weight194.02 g/mol
Exact Mass192.98
IUPAC Name3,6-dichloro-5-ethoxy-1,2,4-triazine
SMILESCCOc1nc(Cl)nnc1Cl
InChIInChI=1S/C5H5Cl2N3O/c1-2-11-4-3(6)9-10-5(7)8-4/h2H2,1H3
InChIKeyGINGXKCDGANVFU-UHFFFAOYSA-N
XLogP1.58
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.02
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-ethoxy-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-ethoxy-1,2,4-triazine (CID 81037904) is 3,6-dichloro-5-ethoxy-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-ethoxy-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-ethoxy-1,2,4-triazine is CCOc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-ethoxy-1,2,4-triazine?
The InChIKey is GINGXKCDGANVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3O/c1-2-11-4-3(6)9-10-5(7)8-4/h2H2,1H3.
What are the key properties of 3,6-dichloro-5-ethoxy-1,2,4-triazine?
3,6-dichloro-5-ethoxy-1,2,4-triazine has a molecular weight of 194.02 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-ethoxy-1,2,4-triazine is sourced from PubChem (CID 81037904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).