1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone

C15H17ClN4O2 — CID 13109948

IUPAC1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone
SMILESCCN(CC)c1nc(Cl)nc(Oc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C15H17ClN4O2/c1-4-20(5-2)14-17-13(16)18-15(19-14)22-12-8-6-7-11(9-12)10(3)21/h6-9H,4-5H2,1-3H3
InChIKeyRFAIQDFSBAIOQZ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.37
Rot. Bonds6

About 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone

1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone (PubChem CID 13109948) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone
PubChem CID13109948
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone
SMILESCCN(CC)c1nc(Cl)nc(Oc2cccc(C(C)=O)c2)n1
InChIInChI=1S/C15H17ClN4O2/c1-4-20(5-2)14-17-13(16)18-15(19-14)22-12-8-6-7-11(9-12)10(3)21/h6-9H,4-5H2,1-3H3
InChIKeyRFAIQDFSBAIOQZ-UHFFFAOYSA-N
XLogP3.37
TPSA68.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone (CID 13109948) is 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone is CCN(CC)c1nc(Cl)nc(Oc2cccc(C(C)=O)c2)n1.
What is the InChIKey of 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
The InChIKey is RFAIQDFSBAIOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-4-20(5-2)14-17-13(16)18-15(19-14)22-12-8-6-7-11(9-12)10(3)21/h6-9H,4-5H2,1-3H3.
What are the key properties of 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone?
1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone has a molecular weight of 320.78 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]ethanone is sourced from PubChem (CID 13109948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).