2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride

C8H15Cl2N5 — CID 19969704

IUPAC2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride
SMILESCc1ncnc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C8H13N5.2ClH/c1-7-10-6-11-8(12-7)13-4-2-9-3-5-13;;/h6,9H,2-5H2,1H3;2*1H
InChIKeyISWZDUXLOFOAMG-UHFFFAOYSA-N
MW252.15 g/mol
LogP0.43
Rot. Bonds1

About 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride

2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride (PubChem CID 19969704) has the molecular formula C8H15Cl2N5 and a molecular weight of 252.15 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride
PubChem CID19969704
Molecular FormulaC8H15Cl2N5
Molecular Weight252.15 g/mol
Exact Mass251.07
IUPAC Name2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride
SMILESCc1ncnc(N2CCNCC2)n1.Cl.Cl
InChIInChI=1S/C8H13N5.2ClH/c1-7-10-6-11-8(12-7)13-4-2-9-3-5-13;;/h6,9H,2-5H2,1H3;2*1H
InChIKeyISWZDUXLOFOAMG-UHFFFAOYSA-N
XLogP0.43
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.15
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Piperazin-1-yl)-1,3,5-triazine dihydrochloride
CID 154853260
2-Methyl-4-piperazin-1-yl-1,3,5-triazine
CID 15132536
2,4-Dimethyl-6-piperazin-1-yl-1,3,5-triazine
CID 20782150
2-Methyl-4-piperazin-1-yl-6-(trichloromethyl)-1,3,5-triazine
CID 20782152
N'-(1,3,5-triazin-2-ylmethyl)ethane-1,2-diamine
CID 21698261
N,4-dimethyl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 22966752
2-Methyl-4-(4-methylpiperazin-1-yl)-1,3,5-triazine
CID 54225036
2-N,2-N-dibutyl-6-methyl-4-N-[2-[(4-methyl-1,3,5-triazin-2-yl)amino]ethyl]-1,3,5-triazine-2,4-diamine
CID 60115576
2-(1,3,5-Triethyl-1,3,5-triazinan-2-yl)-1,3,5-triazine
CID 66821458
N-methyl-1-(1,3,5-triazin-2-yl)methanamine
CID 82467724
2-(Piperazin-1-ylmethyl)-1,3,5-triazine
CID 82468295
2-[4-(4-Chloro-6-methyl-1,3,5-triazin-2-yl)piperazin-1-yl]ethanamine
CID 89138721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
The IUPAC name of 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride (CID 19969704) is 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride is Cc1ncnc(N2CCNCC2)n1.Cl.Cl.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
The InChIKey is ISWZDUXLOFOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5.2ClH/c1-7-10-6-11-8(12-7)13-4-2-9-3-5-13;;/h6,9H,2-5H2,1H3;2*1H.
What are the key properties of 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride?
2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride has a molecular weight of 252.15 g/mol, XLogP of 0.43, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-piperazin-1-yl-1,3,5-triazine;dihydrochloride is sourced from PubChem (CID 19969704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).