3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine

C11H10Cl2N4O — CID 103174589

IUPAC3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine
SMILESCCc1nc(C)ccc1Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-3-7-8(5-4-6(2)14-7)18-10-9(12)16-17-11(13)15-10/h4-5H,3H2,1-2H3
InChIKeyYCUFVEXEOVXDCC-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.24
Rot. Bonds3

About 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine

3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine (PubChem CID 103174589) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine.

Molecular Properties

Compound Name3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine
PubChem CID103174589
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine
SMILESCCc1nc(C)ccc1Oc1nc(Cl)nnc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-3-7-8(5-4-6(2)14-7)18-10-9(12)16-17-11(13)15-10/h4-5H,3H2,1-2H3
InChIKeyYCUFVEXEOVXDCC-UHFFFAOYSA-N
XLogP3.24
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine?
The IUPAC name of 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine (CID 103174589) is 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine.
What is the SMILES notation for 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine?
The canonical SMILES for 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine is CCc1nc(C)ccc1Oc1nc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine?
The InChIKey is YCUFVEXEOVXDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-3-7-8(5-4-6(2)14-7)18-10-9(12)16-17-11(13)15-10/h4-5H,3H2,1-2H3.
What are the key properties of 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine?
3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine has a molecular weight of 285.13 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1,2,4-triazine is sourced from PubChem (CID 103174589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).