4,5-dihydro-1H-imidazol-2-ylcyanamide

C4H6N4 — CID 11400739

IUPAC4,5-dihydro-1H-imidazol-2-ylcyanamide
SMILESN#CNC1=NCCN1
InChIInChI=1S/C4H6N4/c5-3-8-4-6-1-2-7-4/h1-2H2,(H2,6,7,8)
InChIKeyAXBVXGOVBIBENC-UHFFFAOYSA-N
MW110.12 g/mol
LogP-0.98
Rot. Bonds

About 4,5-dihydro-1H-imidazol-2-ylcyanamide

4,5-dihydro-1H-imidazol-2-ylcyanamide (PubChem CID 11400739) has the molecular formula C4H6N4 and a molecular weight of 110.12 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazol-2-ylcyanamide.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazol-2-ylcyanamide
PubChem CID11400739
Molecular FormulaC4H6N4
Molecular Weight110.12 g/mol
Exact Mass110.06
IUPAC Name4,5-dihydro-1H-imidazol-2-ylcyanamide
SMILESN#CNC1=NCCN1
InChIInChI=1S/C4H6N4/c5-3-8-4-6-1-2-7-4/h1-2H2,(H2,6,7,8)
InChIKeyAXBVXGOVBIBENC-UHFFFAOYSA-N
XLogP-0.98
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.12
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze 4,5-dihydro-1H-imidazol-2-ylcyanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazol-2-ylcyanamide?
The IUPAC name of 4,5-dihydro-1H-imidazol-2-ylcyanamide (CID 11400739) is 4,5-dihydro-1H-imidazol-2-ylcyanamide.
What is the SMILES notation for 4,5-dihydro-1H-imidazol-2-ylcyanamide?
The canonical SMILES for 4,5-dihydro-1H-imidazol-2-ylcyanamide is N#CNC1=NCCN1.
What is the InChIKey of 4,5-dihydro-1H-imidazol-2-ylcyanamide?
The InChIKey is AXBVXGOVBIBENC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4/c5-3-8-4-6-1-2-7-4/h1-2H2,(H2,6,7,8).
What are the key properties of 4,5-dihydro-1H-imidazol-2-ylcyanamide?
4,5-dihydro-1H-imidazol-2-ylcyanamide has a molecular weight of 110.12 g/mol, XLogP of -0.98, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazol-2-ylcyanamide is sourced from PubChem (CID 11400739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).