dimethylazanium;formazan;chloride

C3H12ClN5 — CID 161010120

IUPACdimethylazanium;formazan;chloride
SMILESC[NH2+]C.[Cl-].[H]/N=N/C=NN
InChIInChI=1S/C2H7N.CH4N4.ClH/c1-3-2;2-4-1-5-3;/h3H,1-2H3;1-2H,3H2;1H/b;4-2+,5-1?;
InChIKeyKZWGDKKWTNAHDW-RRPIUJDMSA-N
MW153.62 g/mol
LogP-4.27
Rot. Bonds1

About dimethylazanium;formazan;chloride

dimethylazanium;formazan;chloride (PubChem CID 161010120) has the molecular formula C3H12ClN5 and a molecular weight of 153.62 g/mol. Its IUPAC name is dimethylazanium;formazan;chloride.

Molecular Properties

Compound Namedimethylazanium;formazan;chloride
PubChem CID161010120
Molecular FormulaC3H12ClN5
Molecular Weight153.62 g/mol
Exact Mass153.08
IUPAC Namedimethylazanium;formazan;chloride
SMILESC[NH2+]C.[Cl-].[H]/N=N/C=NN
InChIInChI=1S/C2H7N.CH4N4.ClH/c1-3-2;2-4-1-5-3;/h3H,1-2H3;1-2H,3H2;1H/b;4-2+,5-1?;
InChIKeyKZWGDKKWTNAHDW-RRPIUJDMSA-N
XLogP-4.27
TPSA91.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.62
LogP ≤ 5-4.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylazanium;formazan;chloride?
The IUPAC name of dimethylazanium;formazan;chloride (CID 161010120) is dimethylazanium;formazan;chloride.
What is the SMILES notation for dimethylazanium;formazan;chloride?
The canonical SMILES for dimethylazanium;formazan;chloride is C[NH2+]C.[Cl-].[H]/N=N/C=NN.
What is the InChIKey of dimethylazanium;formazan;chloride?
The InChIKey is KZWGDKKWTNAHDW-RRPIUJDMSA-N. The full InChI is InChI=1S/C2H7N.CH4N4.ClH/c1-3-2;2-4-1-5-3;/h3H,1-2H3;1-2H,3H2;1H/b;4-2+,5-1?;.
What are the key properties of dimethylazanium;formazan;chloride?
dimethylazanium;formazan;chloride has a molecular weight of 153.62 g/mol, XLogP of -4.27, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylazanium;formazan;chloride is sourced from PubChem (CID 161010120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).