1,3-diamino-2-phenylguanidine;hydroiodide

C7H12IN5 — CID 12727461

IUPAC1,3-diamino-2-phenylguanidine;hydroiodide
SMILESI.NNC(=Nc1ccccc1)NN
InChIInChI=1S/C7H11N5.HI/c8-11-7(12-9)10-6-4-2-1-3-5-6;/h1-5H,8-9H2,(H2,10,11,12);1H
InChIKeyZEDJAPGQVXCVNI-UHFFFAOYSA-N
MW293.11 g/mol
LogP0.22
Rot. Bonds1

About 1,3-diamino-2-phenylguanidine;hydroiodide

1,3-diamino-2-phenylguanidine;hydroiodide (PubChem CID 12727461) has the molecular formula C7H12IN5 and a molecular weight of 293.11 g/mol. Its IUPAC name is 1,3-diamino-2-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name1,3-diamino-2-phenylguanidine;hydroiodide
PubChem CID12727461
Molecular FormulaC7H12IN5
Molecular Weight293.11 g/mol
Exact Mass293.01
IUPAC Name1,3-diamino-2-phenylguanidine;hydroiodide
SMILESI.NNC(=Nc1ccccc1)NN
InChIInChI=1S/C7H11N5.HI/c8-11-7(12-9)10-6-4-2-1-3-5-6;/h1-5H,8-9H2,(H2,10,11,12);1H
InChIKeyZEDJAPGQVXCVNI-UHFFFAOYSA-N
XLogP0.22
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diamino-2-phenylguanidine;hydroiodide?
The IUPAC name of 1,3-diamino-2-phenylguanidine;hydroiodide (CID 12727461) is 1,3-diamino-2-phenylguanidine;hydroiodide.
What is the SMILES notation for 1,3-diamino-2-phenylguanidine;hydroiodide?
The canonical SMILES for 1,3-diamino-2-phenylguanidine;hydroiodide is I.NNC(=Nc1ccccc1)NN.
What is the InChIKey of 1,3-diamino-2-phenylguanidine;hydroiodide?
The InChIKey is ZEDJAPGQVXCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5.HI/c8-11-7(12-9)10-6-4-2-1-3-5-6;/h1-5H,8-9H2,(H2,10,11,12);1H.
What are the key properties of 1,3-diamino-2-phenylguanidine;hydroiodide?
1,3-diamino-2-phenylguanidine;hydroiodide has a molecular weight of 293.11 g/mol, XLogP of 0.22, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diamino-2-phenylguanidine;hydroiodide is sourced from PubChem (CID 12727461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).