5-methylidene-1H-imidazol-4-imine

C4H5N3 — CID 176547508

IUPAC5-methylidene-1H-imidazol-4-imine
SMILES[H]/N=C1\N=CNC1=C
InChIInChI=1S/C4H5N3/c1-3-4(5)7-2-6-3/h2H,1H2,(H2,5,6,7)
InChIKeyMGEAKDQMCPGFPG-UHFFFAOYSA-N
MW95.10 g/mol
LogP0.11
Rot. Bonds

About 5-methylidene-1H-imidazol-4-imine

5-methylidene-1H-imidazol-4-imine (PubChem CID 176547508) has the molecular formula C4H5N3 and a molecular weight of 95.10 g/mol. Its IUPAC name is 5-methylidene-1H-imidazol-4-imine.

Molecular Properties

Compound Name5-methylidene-1H-imidazol-4-imine
PubChem CID176547508
Molecular FormulaC4H5N3
Molecular Weight95.10 g/mol
Exact Mass95.05
IUPAC Name5-methylidene-1H-imidazol-4-imine
SMILES[H]/N=C1\N=CNC1=C
InChIInChI=1S/C4H5N3/c1-3-4(5)7-2-6-3/h2H,1H2,(H2,5,6,7)
InChIKeyMGEAKDQMCPGFPG-UHFFFAOYSA-N
XLogP0.11
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.10
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-1H-imidazol-4-imine?
The IUPAC name of 5-methylidene-1H-imidazol-4-imine (CID 176547508) is 5-methylidene-1H-imidazol-4-imine.
What is the SMILES notation for 5-methylidene-1H-imidazol-4-imine?
The canonical SMILES for 5-methylidene-1H-imidazol-4-imine is [H]/N=C1\N=CNC1=C.
What is the InChIKey of 5-methylidene-1H-imidazol-4-imine?
The InChIKey is MGEAKDQMCPGFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3/c1-3-4(5)7-2-6-3/h2H,1H2,(H2,5,6,7).
What are the key properties of 5-methylidene-1H-imidazol-4-imine?
5-methylidene-1H-imidazol-4-imine has a molecular weight of 95.10 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-1H-imidazol-4-imine is sourced from PubChem (CID 176547508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).