azane;methanimidamide;hydroiodide

CH11IN4 — CID 175027178

IUPACazane;methanimidamide;hydroiodide
SMILESI.N.N.[H]/N=C/N
InChIInChI=1S/CH4N2.HI.2H3N/c2-1-3;;;/h1H,(H3,2,3);1H;2*1H3
InChIKeyMROOQQQAJDCCKC-UHFFFAOYSA-N
MW206.03 g/mol
LogP0.49
Rot. Bonds

About azane;methanimidamide;hydroiodide

azane;methanimidamide;hydroiodide (PubChem CID 175027178) has the molecular formula CH11IN4 and a molecular weight of 206.03 g/mol. Its IUPAC name is azane;methanimidamide;hydroiodide.

Molecular Properties

Compound Nameazane;methanimidamide;hydroiodide
PubChem CID175027178
Molecular FormulaCH11IN4
Molecular Weight206.03 g/mol
Exact Mass206.00
IUPAC Nameazane;methanimidamide;hydroiodide
SMILESI.N.N.[H]/N=C/N
InChIInChI=1S/CH4N2.HI.2H3N/c2-1-3;;;/h1H,(H3,2,3);1H;2*1H3
InChIKeyMROOQQQAJDCCKC-UHFFFAOYSA-N
XLogP0.49
TPSA119.87 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;methanimidamide;hydroiodide?
The IUPAC name of azane;methanimidamide;hydroiodide (CID 175027178) is azane;methanimidamide;hydroiodide.
What is the SMILES notation for azane;methanimidamide;hydroiodide?
The canonical SMILES for azane;methanimidamide;hydroiodide is I.N.N.[H]/N=C/N.
What is the InChIKey of azane;methanimidamide;hydroiodide?
The InChIKey is MROOQQQAJDCCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4N2.HI.2H3N/c2-1-3;;;/h1H,(H3,2,3);1H;2*1H3.
What are the key properties of azane;methanimidamide;hydroiodide?
azane;methanimidamide;hydroiodide has a molecular weight of 206.03 g/mol, XLogP of 0.49, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methanimidamide;hydroiodide is sourced from PubChem (CID 175027178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).