1-imidazol-2-ylideneguanidine

C4H5N5 — CID 91130871

IUPAC1-imidazol-2-ylideneguanidine
SMILES[H]/N=C(\N)N=C1N=CC=N1
InChIInChI=1S/C4H5N5/c5-3(6)9-4-7-1-2-8-4/h1-2H,(H3,5,6)
InChIKeyGUFPUKZZUUVYNR-UHFFFAOYSA-N
MW123.12 g/mol
LogP-0.61
Rot. Bonds

About 1-imidazol-2-ylideneguanidine

1-imidazol-2-ylideneguanidine (PubChem CID 91130871) has the molecular formula C4H5N5 and a molecular weight of 123.12 g/mol. Its IUPAC name is 1-imidazol-2-ylideneguanidine.

Molecular Properties

Compound Name1-imidazol-2-ylideneguanidine
PubChem CID91130871
Molecular FormulaC4H5N5
Molecular Weight123.12 g/mol
Exact Mass123.05
IUPAC Name1-imidazol-2-ylideneguanidine
SMILES[H]/N=C(\N)N=C1N=CC=N1
InChIInChI=1S/C4H5N5/c5-3(6)9-4-7-1-2-8-4/h1-2H,(H3,5,6)
InChIKeyGUFPUKZZUUVYNR-UHFFFAOYSA-N
XLogP-0.61
TPSA86.95 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.12
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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-imidazol-2-ylideneguanidine?
The IUPAC name of 1-imidazol-2-ylideneguanidine (CID 91130871) is 1-imidazol-2-ylideneguanidine.
What is the SMILES notation for 1-imidazol-2-ylideneguanidine?
The canonical SMILES for 1-imidazol-2-ylideneguanidine is [H]/N=C(\N)N=C1N=CC=N1.
What is the InChIKey of 1-imidazol-2-ylideneguanidine?
The InChIKey is GUFPUKZZUUVYNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N5/c5-3(6)9-4-7-1-2-8-4/h1-2H,(H3,5,6).
What are the key properties of 1-imidazol-2-ylideneguanidine?
1-imidazol-2-ylideneguanidine has a molecular weight of 123.12 g/mol, XLogP of -0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazol-2-ylideneguanidine is sourced from PubChem (CID 91130871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).