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

C13H27N5 — CID 143584951

IUPAC2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane
SMILESCC.CC.Cc1nc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5.2C2H6/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14;2*1-2/h10H,3-6H2,1-2H3;2*1-2H3
InChIKeyLNQZXHYXRBZYPM-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.95
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 143584951) has the molecular formula C13H27N5 and a molecular weight of 253.39 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 CID143584951
Molecular FormulaC13H27N5
Molecular Weight253.39 g/mol
Exact Mass253.23
IUPAC Name2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine;ethane
SMILESCC.CC.Cc1nc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5.2C2H6/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14;2*1-2/h10H,3-6H2,1-2H3;2*1-2H3
InChIKeyLNQZXHYXRBZYPM-UHFFFAOYSA-N
XLogP1.95
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.95
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 143584951) 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.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 LNQZXHYXRBZYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5.2C2H6/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14;2*1-2/h10H,3-6H2,1-2H3;2*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 253.39 g/mol, XLogP of 1.95, 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 143584951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).