formazan;N-methylmethanamine

C3H11N5 — CID 161010119

IUPACformazan;N-methylmethanamine
SMILESCNC.[H]/N=N/C=NN
InChIInChI=1S/C2H7N.CH4N4/c1-3-2;2-4-1-5-3/h3H,1-2H3;1-2H,3H2/b;4-2+,5-1?
InChIKeyTXAHKCHBJJLKFU-CTELUNINSA-N
MW117.16 g/mol
LogP-0.25
Rot. Bonds1

About formazan;N-methylmethanamine

formazan;N-methylmethanamine (PubChem CID 161010119) has the molecular formula C3H11N5 and a molecular weight of 117.16 g/mol. Its IUPAC name is formazan;N-methylmethanamine.

Molecular Properties

Compound Nameformazan;N-methylmethanamine
PubChem CID161010119
Molecular FormulaC3H11N5
Molecular Weight117.16 g/mol
Exact Mass117.10
IUPAC Nameformazan;N-methylmethanamine
SMILESCNC.[H]/N=N/C=NN
InChIInChI=1S/C2H7N.CH4N4/c1-3-2;2-4-1-5-3/h3H,1-2H3;1-2H,3H2/b;4-2+,5-1?
InChIKeyTXAHKCHBJJLKFU-CTELUNINSA-N
XLogP-0.25
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.16
LogP ≤ 5-0.25
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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Related Compounds

N'-diazenyl-N-methylmethanimidamide
CID 136143486
N'-diazenyl-N-methylmethanimidamide
CID 136611206
N'-(2-iminohydrazinyl)-N-methylmethanimidamide
CID 136614544
N'-(2,2-dimethylhydrazinyl)methanimidamide
CID 152801962
Dimethylazanium;formazan;chloride
CID 161010120
Formazan;methanamine
CID 162057326
[Amino(methylamino)methylidene]-hydrazinylideneazanium
CID 174063211
N-methyl-1-[(Z)-(2-methylidenehydrazinyl)diazenyl]methanamine
CID 172332398

Frequently Asked Questions

What is the IUPAC name of formazan;N-methylmethanamine?
The IUPAC name of formazan;N-methylmethanamine (CID 161010119) is formazan;N-methylmethanamine.
What is the SMILES notation for formazan;N-methylmethanamine?
The canonical SMILES for formazan;N-methylmethanamine is CNC.[H]/N=N/C=NN.
What is the InChIKey of formazan;N-methylmethanamine?
The InChIKey is TXAHKCHBJJLKFU-CTELUNINSA-N. The full InChI is InChI=1S/C2H7N.CH4N4/c1-3-2;2-4-1-5-3/h3H,1-2H3;1-2H,3H2/b;4-2+,5-1?.
What are the key properties of formazan;N-methylmethanamine?
formazan;N-methylmethanamine has a molecular weight of 117.16 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formazan;N-methylmethanamine is sourced from PubChem (CID 161010119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).