1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone

C10H13Cl2N5O — CID 166070825

IUPAC1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C10H13Cl2N5O/c1-6(18)17-4-2-7(3-5-17)13-10-15-8(11)14-9(12)16-10/h7H,2-5H2,1H3,(H,13,14,15,16)
InChIKeySUGQCMBOOBSIIX-UHFFFAOYSA-N
MW290.15 g/mol
LogP1.60
Rot. Bonds2

About 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone

1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone (PubChem CID 166070825) has the molecular formula C10H13Cl2N5O and a molecular weight of 290.15 g/mol. Its IUPAC name is 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone
PubChem CID166070825
Molecular FormulaC10H13Cl2N5O
Molecular Weight290.15 g/mol
Exact Mass289.05
IUPAC Name1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Nc2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C10H13Cl2N5O/c1-6(18)17-4-2-7(3-5-17)13-10-15-8(11)14-9(12)16-10/h7H,2-5H2,1H3,(H,13,14,15,16)
InChIKeySUGQCMBOOBSIIX-UHFFFAOYSA-N
XLogP1.60
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone (CID 166070825) is 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone is CC(=O)N1CCC(Nc2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone?
The InChIKey is SUGQCMBOOBSIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N5O/c1-6(18)17-4-2-7(3-5-17)13-10-15-8(11)14-9(12)16-10/h7H,2-5H2,1H3,(H,13,14,15,16).
What are the key properties of 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone?
1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone has a molecular weight of 290.15 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 166070825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).