formazan;methanamine

C2H9N5 — CID 162057326

IUPACformazan;methanamine
SMILESCN.[H]/N=N/C=NN
InChIInChI=1S/CH4N4.CH5N/c2-4-1-5-3;1-2/h1-2H,3H2;2H2,1H3/b4-2+,5-1?;
InChIKeyYZIYHGSOEIOKQX-DFURCFFDSA-N
MW103.13 g/mol
LogP-0.51
Rot. Bonds1

About formazan;methanamine

formazan;methanamine (PubChem CID 162057326) has the molecular formula C2H9N5 and a molecular weight of 103.13 g/mol. Its IUPAC name is formazan;methanamine.

Molecular Properties

Compound Nameformazan;methanamine
PubChem CID162057326
Molecular FormulaC2H9N5
Molecular Weight103.13 g/mol
Exact Mass103.09
IUPAC Nameformazan;methanamine
SMILESCN.[H]/N=N/C=NN
InChIInChI=1S/CH4N4.CH5N/c2-4-1-5-3;1-2/h1-2H,3H2;2H2,1H3/b4-2+,5-1?;
InChIKeyYZIYHGSOEIOKQX-DFURCFFDSA-N
XLogP-0.51
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 formazan;methanamine?
The IUPAC name of formazan;methanamine (CID 162057326) is formazan;methanamine.
What is the SMILES notation for formazan;methanamine?
The canonical SMILES for formazan;methanamine is CN.[H]/N=N/C=NN.
What is the InChIKey of formazan;methanamine?
The InChIKey is YZIYHGSOEIOKQX-DFURCFFDSA-N. The full InChI is InChI=1S/CH4N4.CH5N/c2-4-1-5-3;1-2/h1-2H,3H2;2H2,1H3/b4-2+,5-1?;.
What are the key properties of formazan;methanamine?
formazan;methanamine has a molecular weight of 103.13 g/mol, XLogP of -0.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formazan;methanamine is sourced from PubChem (CID 162057326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).