1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone

C11H17N5O — CID 20647582

IUPAC1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)nc(C)n2)CC1
InChIInChI=1S/C11H17N5O/c1-8-12-9(2)14-11(13-8)16-6-4-15(5-7-16)10(3)17/h4-7H2,1-3H3
InChIKeySLJIOUXTOCFCKT-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.16
Rot. Bonds1

About 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone

1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (PubChem CID 20647582) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
PubChem CID20647582
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(C)nc(C)n2)CC1
InChIInChI=1S/C11H17N5O/c1-8-12-9(2)14-11(13-8)16-6-4-15(5-7-16)10(3)17/h4-7H2,1-3H3
InChIKeySLJIOUXTOCFCKT-UHFFFAOYSA-N
XLogP0.16
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone (CID 20647582) is 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(C)nc(C)n2)CC1.
What is the InChIKey of 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
The InChIKey is SLJIOUXTOCFCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-8-12-9(2)14-11(13-8)16-6-4-15(5-7-16)10(3)17/h4-7H2,1-3H3.
What are the key properties of 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone?
1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone has a molecular weight of 235.29 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,6-dimethyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 20647582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).