benzene-1,3,5-triamine;trihydrochloride

C6H12Cl3N3 — CID 19392033

IUPACbenzene-1,3,5-triamine;trihydrochloride
SMILESCl.Cl.Cl.Nc1cc(N)cc(N)c1
InChIInChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H
InChIKeyGSPBVFMIOSWQJB-UHFFFAOYSA-N
MW232.54 g/mol
LogP1.70
Rot. Bonds

About benzene-1,3,5-triamine;trihydrochloride

benzene-1,3,5-triamine;trihydrochloride (PubChem CID 19392033) has the molecular formula C6H12Cl3N3 and a molecular weight of 232.54 g/mol. Its IUPAC name is benzene-1,3,5-triamine;trihydrochloride.

Molecular Properties

Compound Namebenzene-1,3,5-triamine;trihydrochloride
PubChem CID19392033
Molecular FormulaC6H12Cl3N3
Molecular Weight232.54 g/mol
Exact Mass231.01
IUPAC Namebenzene-1,3,5-triamine;trihydrochloride
SMILESCl.Cl.Cl.Nc1cc(N)cc(N)c1
InChIInChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H
InChIKeyGSPBVFMIOSWQJB-UHFFFAOYSA-N
XLogP1.70
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.54
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-1,3,5-triamine;trihydrochloride?
The IUPAC name of benzene-1,3,5-triamine;trihydrochloride (CID 19392033) is benzene-1,3,5-triamine;trihydrochloride.
What is the SMILES notation for benzene-1,3,5-triamine;trihydrochloride?
The canonical SMILES for benzene-1,3,5-triamine;trihydrochloride is Cl.Cl.Cl.Nc1cc(N)cc(N)c1.
What is the InChIKey of benzene-1,3,5-triamine;trihydrochloride?
The InChIKey is GSPBVFMIOSWQJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3.3ClH/c7-4-1-5(8)3-6(9)2-4;;;/h1-3H,7-9H2;3*1H.
What are the key properties of benzene-1,3,5-triamine;trihydrochloride?
benzene-1,3,5-triamine;trihydrochloride has a molecular weight of 232.54 g/mol, XLogP of 1.70, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,3,5-triamine;trihydrochloride is sourced from PubChem (CID 19392033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).