5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine

C5H7IN4 — CID 176543440

IUPAC5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine
SMILESC=C1N=CN=C1N/I=N/C
InChIInChI=1S/C5H7IN4/c1-4-5(9-3-8-4)10-6-7-2/h3H,1H2,2H3,(H,7,8,9,10)
InChIKeyQMXLISAPFDGSPD-UHFFFAOYSA-N
MW250.04 g/mol
LogP1.23
Rot. Bonds1

About 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine

5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine (PubChem CID 176543440) has the molecular formula C5H7IN4 and a molecular weight of 250.04 g/mol. Its IUPAC name is 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine.

Molecular Properties

Compound Name5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine
PubChem CID176543440
Molecular FormulaC5H7IN4
Molecular Weight250.04 g/mol
Exact Mass249.97
IUPAC Name5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine
SMILESC=C1N=CN=C1N/I=N/C
InChIInChI=1S/C5H7IN4/c1-4-5(9-3-8-4)10-6-7-2/h3H,1H2,2H3,(H,7,8,9,10)
InChIKeyQMXLISAPFDGSPD-UHFFFAOYSA-N
XLogP1.23
TPSA49.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.04
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine?
The IUPAC name of 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine (CID 176543440) is 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine.
What is the SMILES notation for 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine?
The canonical SMILES for 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine is C=C1N=CN=C1N/I=N/C.
What is the InChIKey of 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine?
The InChIKey is QMXLISAPFDGSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN4/c1-4-5(9-3-8-4)10-6-7-2/h3H,1H2,2H3,(H,7,8,9,10).
What are the key properties of 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine?
5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine has a molecular weight of 250.04 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-N-(methylimino-λ3-iodanyl)imidazol-4-amine is sourced from PubChem (CID 176543440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).