1-cyano-2-phenylguanidine

C8H8N4 — CID 2827760

IUPAC1-cyano-2-phenylguanidine
SMILESN#CN/C(N)=N/c1ccccc1
InChIInChI=1S/C8H8N4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h1-5H,(H3,10,11,12)
InChIKeyDJYSROZOHXIMPW-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.70
Rot. Bonds1

About 1-cyano-2-phenylguanidine

1-cyano-2-phenylguanidine (PubChem CID 2827760) has the molecular formula C8H8N4 and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-cyano-2-phenylguanidine.

Molecular Properties

Compound Name1-cyano-2-phenylguanidine
PubChem CID2827760
Molecular FormulaC8H8N4
Molecular Weight160.18 g/mol
Exact Mass160.07
IUPAC Name1-cyano-2-phenylguanidine
SMILESN#CN/C(N)=N/c1ccccc1
InChIInChI=1S/C8H8N4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h1-5H,(H3,10,11,12)
InChIKeyDJYSROZOHXIMPW-UHFFFAOYSA-N
XLogP0.70
TPSA74.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', '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 1-cyano-2-phenylguanidine?
The IUPAC name of 1-cyano-2-phenylguanidine (CID 2827760) is 1-cyano-2-phenylguanidine.
What is the SMILES notation for 1-cyano-2-phenylguanidine?
The canonical SMILES for 1-cyano-2-phenylguanidine is N#CN/C(N)=N/c1ccccc1.
What is the InChIKey of 1-cyano-2-phenylguanidine?
The InChIKey is DJYSROZOHXIMPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4/c9-6-11-8(10)12-7-4-2-1-3-5-7/h1-5H,(H3,10,11,12).
What are the key properties of 1-cyano-2-phenylguanidine?
1-cyano-2-phenylguanidine has a molecular weight of 160.18 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-phenylguanidine is sourced from PubChem (CID 2827760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).