3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one

C10H14ClN5O2 — CID 55124511

IUPAC3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESCCOc1nc(Cl)nc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H14ClN5O2/c1-2-18-10-15-8(11)14-9(16-10)13-6-4-3-5-12-7(6)17/h6H,2-5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyXHWAAAAOMNAACH-UHFFFAOYSA-N
MW271.71 g/mol
LogP0.61
Rot. Bonds4

About 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one

3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one (PubChem CID 55124511) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
PubChem CID55124511
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one
SMILESCCOc1nc(Cl)nc(NC2CCCNC2=O)n1
InChIInChI=1S/C10H14ClN5O2/c1-2-18-10-15-8(11)14-9(16-10)13-6-4-3-5-12-7(6)17/h6H,2-5H2,1H3,(H,12,17)(H,13,14,15,16)
InChIKeyXHWAAAAOMNAACH-UHFFFAOYSA-N
XLogP0.61
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one (CID 55124511) is 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one is CCOc1nc(Cl)nc(NC2CCCNC2=O)n1.
What is the InChIKey of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
The InChIKey is XHWAAAAOMNAACH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5O2/c1-2-18-10-15-8(11)14-9(16-10)13-6-4-3-5-12-7(6)17/h6H,2-5H2,1H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one?
3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one has a molecular weight of 271.71 g/mol, XLogP of 0.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 55124511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).