2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride

C13H25Cl4N7 — CID 71763882

IUPAC2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride
SMILESCN1CCN(c2nc(Cl)nc(N3CCN(C)CC3)n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C13H22ClN7.3ClH/c1-18-3-7-20(8-4-18)12-15-11(14)16-13(17-12)21-9-5-19(2)6-10-21;;;/h3-10H2,1-2H3;3*1H
InChIKeyLTQTTWRWOHIAME-UHFFFAOYSA-N
MW421.20 g/mol
LogP1.29
Rot. Bonds2

About 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride

2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride (PubChem CID 71763882) has the molecular formula C13H25Cl4N7 and a molecular weight of 421.20 g/mol. Its IUPAC name is 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride.

Molecular Properties

Compound Name2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride
PubChem CID71763882
Molecular FormulaC13H25Cl4N7
Molecular Weight421.20 g/mol
Exact Mass419.09
IUPAC Name2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride
SMILESCN1CCN(c2nc(Cl)nc(N3CCN(C)CC3)n2)CC1.Cl.Cl.Cl
InChIInChI=1S/C13H22ClN7.3ClH/c1-18-3-7-20(8-4-18)12-15-11(14)16-13(17-12)21-9-5-19(2)6-10-21;;;/h3-10H2,1-2H3;3*1H
InChIKeyLTQTTWRWOHIAME-UHFFFAOYSA-N
XLogP1.29
TPSA51.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride?
The IUPAC name of 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride (CID 71763882) is 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride.
What is the SMILES notation for 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride?
The canonical SMILES for 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride is CN1CCN(c2nc(Cl)nc(N3CCN(C)CC3)n2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride?
The InChIKey is LTQTTWRWOHIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN7.3ClH/c1-18-3-7-20(8-4-18)12-15-11(14)16-13(17-12)21-9-5-19(2)6-10-21;;;/h3-10H2,1-2H3;3*1H.
What are the key properties of 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride?
2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride has a molecular weight of 421.20 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-bis(4-methylpiperazin-1-yl)-1,3,5-triazine;trihydrochloride is sourced from PubChem (CID 71763882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).