4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one

C11H16ClN5O2 — CID 55215774

IUPAC4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one
SMILESCCOc1nc(Cl)nc(N2CCNC(=O)C2CC)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-7-8(18)13-5-6-17(7)10-14-9(12)15-11(16-10)19-4-2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyDWEWMRJHIVXWCO-UHFFFAOYSA-N
MW285.74 g/mol
LogP0.64
Rot. Bonds4

About 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one

4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one (PubChem CID 55215774) has the molecular formula C11H16ClN5O2 and a molecular weight of 285.74 g/mol. Its IUPAC name is 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one.

Molecular Properties

Compound Name4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one
PubChem CID55215774
Molecular FormulaC11H16ClN5O2
Molecular Weight285.74 g/mol
Exact Mass285.10
IUPAC Name4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one
SMILESCCOc1nc(Cl)nc(N2CCNC(=O)C2CC)n1
InChIInChI=1S/C11H16ClN5O2/c1-3-7-8(18)13-5-6-17(7)10-14-9(12)15-11(16-10)19-4-2/h7H,3-6H2,1-2H3,(H,13,18)
InChIKeyDWEWMRJHIVXWCO-UHFFFAOYSA-N
XLogP0.64
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.74
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one?
The IUPAC name of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one (CID 55215774) is 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one.
What is the SMILES notation for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one?
The canonical SMILES for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one is CCOc1nc(Cl)nc(N2CCNC(=O)C2CC)n1.
What is the InChIKey of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one?
The InChIKey is DWEWMRJHIVXWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5O2/c1-3-7-8(18)13-5-6-17(7)10-14-9(12)15-11(16-10)19-4-2/h7H,3-6H2,1-2H3,(H,13,18).
What are the key properties of 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one?
4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one has a molecular weight of 285.74 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-3-ethylpiperazin-2-one is sourced from PubChem (CID 55215774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).