benzene-1,2,4,5-tetramine;trihydrochloride

C6H13Cl3N4 — CID 162304988

IUPACbenzene-1,2,4,5-tetramine;trihydrochloride
SMILESCl.Cl.Cl.Nc1cc(N)c(N)cc1N
InChIInChI=1S/C6H10N4.3ClH/c7-3-1-4(8)6(10)2-5(3)9;;;/h1-2H,7-10H2;3*1H
InChIKeyXMROIHAGRBJEAE-UHFFFAOYSA-N
MW247.56 g/mol
LogP1.28
Rot. Bonds

About benzene-1,2,4,5-tetramine;trihydrochloride

benzene-1,2,4,5-tetramine;trihydrochloride (PubChem CID 162304988) has the molecular formula C6H13Cl3N4 and a molecular weight of 247.56 g/mol. Its IUPAC name is benzene-1,2,4,5-tetramine;trihydrochloride.

Molecular Properties

Compound Namebenzene-1,2,4,5-tetramine;trihydrochloride
PubChem CID162304988
Molecular FormulaC6H13Cl3N4
Molecular Weight247.56 g/mol
Exact Mass246.02
IUPAC Namebenzene-1,2,4,5-tetramine;trihydrochloride
SMILESCl.Cl.Cl.Nc1cc(N)c(N)cc1N
InChIInChI=1S/C6H10N4.3ClH/c7-3-1-4(8)6(10)2-5(3)9;;;/h1-2H,7-10H2;3*1H
InChIKeyXMROIHAGRBJEAE-UHFFFAOYSA-N
XLogP1.28
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.56
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2,4,5-tetramine;trihydrochloride?
The IUPAC name of benzene-1,2,4,5-tetramine;trihydrochloride (CID 162304988) is benzene-1,2,4,5-tetramine;trihydrochloride.
What is the SMILES notation for benzene-1,2,4,5-tetramine;trihydrochloride?
The canonical SMILES for benzene-1,2,4,5-tetramine;trihydrochloride is Cl.Cl.Cl.Nc1cc(N)c(N)cc1N.
What is the InChIKey of benzene-1,2,4,5-tetramine;trihydrochloride?
The InChIKey is XMROIHAGRBJEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.3ClH/c7-3-1-4(8)6(10)2-5(3)9;;;/h1-2H,7-10H2;3*1H.
What are the key properties of benzene-1,2,4,5-tetramine;trihydrochloride?
benzene-1,2,4,5-tetramine;trihydrochloride has a molecular weight of 247.56 g/mol, XLogP of 1.28, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2,4,5-tetramine;trihydrochloride is sourced from PubChem (CID 162304988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).