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

C9H15N5 — CID 20782150

IUPAC2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine
SMILESCc1nc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14/h10H,3-6H2,1-2H3
InChIKeyCKPLKDLPCGBGDI-UHFFFAOYSA-N
MW193.25 g/mol
LogP-0.10
Rot. Bonds1

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

2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine (PubChem CID 20782150) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine
PubChem CID20782150
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC Name2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine
SMILESCc1nc(C)nc(N2CCNCC2)n1
InChIInChI=1S/C9H15N5/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14/h10H,3-6H2,1-2H3
InChIKeyCKPLKDLPCGBGDI-UHFFFAOYSA-N
XLogP-0.10
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 5-0.10
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?
The IUPAC name of 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine (CID 20782150) is 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine?
The canonical SMILES for 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine is Cc1nc(C)nc(N2CCNCC2)n1.
What is the InChIKey of 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine?
The InChIKey is CKPLKDLPCGBGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-7-11-8(2)13-9(12-7)14-5-3-10-4-6-14/h10H,3-6H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine?
2,4-dimethyl-6-piperazin-1-yl-1,3,5-triazine has a molecular weight of 193.25 g/mol, XLogP of -0.10, 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 is sourced from PubChem (CID 20782150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).