azane;benzene-1,4-diamine;dihydrochloride

C6H13Cl2N3 — CID 70409738

IUPACazane;benzene-1,4-diamine;dihydrochloride
SMILESCl.Cl.N.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.2ClH.H3N/c7-5-1-2-6(8)4-3-5;;;/h1-4H,7-8H2;2*1H;1H3
InChIKeyZOXMBIUFCOOJSC-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.86
Rot. Bonds

About azane;benzene-1,4-diamine;dihydrochloride

azane;benzene-1,4-diamine;dihydrochloride (PubChem CID 70409738) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is azane;benzene-1,4-diamine;dihydrochloride.

Molecular Properties

Compound Nameazane;benzene-1,4-diamine;dihydrochloride
PubChem CID70409738
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Nameazane;benzene-1,4-diamine;dihydrochloride
SMILESCl.Cl.N.Nc1ccc(N)cc1
InChIInChI=1S/C6H8N2.2ClH.H3N/c7-5-1-2-6(8)4-3-5;;;/h1-4H,7-8H2;2*1H;1H3
InChIKeyZOXMBIUFCOOJSC-UHFFFAOYSA-N
XLogP1.86
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze azane;benzene-1,4-diamine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
4-(4-aminophenyl)aniline;tetrahydrochloride
CID 68733336
benzene-1,4-diamine;ethane;methane
CID 159498580
aniline;azane
CID 171780637
4-amino(13C)benzonitrile
CID 10080388
4-aminobenzenethiol
CID 159011943
4-(4-aminophenyl)aniline;azanide;nickel(2+)
CID 87835817
acetylene;4-(4-aminophenyl)aniline
CID 18766839
benzene-1,4-diamine;butane
CID 67434753
CID 57424296
CID 57424296
sodium 4-ethynylaniline
CID 11400815

Frequently Asked Questions

What is the IUPAC name of azane;benzene-1,4-diamine;dihydrochloride?
The IUPAC name of azane;benzene-1,4-diamine;dihydrochloride (CID 70409738) is azane;benzene-1,4-diamine;dihydrochloride.
What is the SMILES notation for azane;benzene-1,4-diamine;dihydrochloride?
The canonical SMILES for azane;benzene-1,4-diamine;dihydrochloride is Cl.Cl.N.Nc1ccc(N)cc1.
What is the InChIKey of azane;benzene-1,4-diamine;dihydrochloride?
The InChIKey is ZOXMBIUFCOOJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2.2ClH.H3N/c7-5-1-2-6(8)4-3-5;;;/h1-4H,7-8H2;2*1H;1H3.
What are the key properties of azane;benzene-1,4-diamine;dihydrochloride?
azane;benzene-1,4-diamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.86, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;benzene-1,4-diamine;dihydrochloride is sourced from PubChem (CID 70409738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).