2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane

C11H21N5 — CID 143584949

IUPAC2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane
SMILESCC.Cc1nc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5.C2H6/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14;1-2/h10H,3-6H2,1-2H3;1-2H3
InChIKeyKTZPTQSMESHNMA-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.92
Rot. Bonds1

About 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane

2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane (PubChem CID 143584949) has the molecular formula C11H21N5 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane.

Molecular Properties

Compound Name2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane
PubChem CID143584949
Molecular FormulaC11H21N5
Molecular Weight223.32 g/mol
Exact Mass223.18
IUPAC Name2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane
SMILESCC.Cc1nc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5.C2H6/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14;1-2/h10H,3-6H2,1-2H3;1-2H3
InChIKeyKTZPTQSMESHNMA-UHFFFAOYSA-N
XLogP0.92
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane?
The IUPAC name of 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane (CID 143584949) is 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane.
What is the SMILES notation for 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane?
The canonical SMILES for 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane is CC.Cc1nc(C)nc(N2CCNCC2)n1.
What is the InChIKey of 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane?
The InChIKey is KTZPTQSMESHNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5.C2H6/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14;1-2/h10H,3-6H2,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane?
2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane has a molecular weight of 223.32 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane is sourced from PubChem (CID 143584949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).