(5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine

C6H8N4 — CID 145257736

IUPAC(5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine
SMILES[H]/N=C1C(=C\N=C)/N=CN/1C
InChIInChI=1S/C6H8N4/c1-8-3-5-6(7)10(2)4-9-5/h3-4,7H,1H2,2H3/b5-3+,7-6-
InChIKeyYOZCEWFHYKLCDB-WZWXSLMZSA-N
MW136.16 g/mol
LogP0.48
Rot. Bonds1

About (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine

(5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine (PubChem CID 145257736) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine
PubChem CID145257736
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name(5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine
SMILES[H]/N=C1C(=C\N=C)/N=CN/1C
InChIInChI=1S/C6H8N4/c1-8-3-5-6(7)10(2)4-9-5/h3-4,7H,1H2,2H3/b5-3+,7-6-
InChIKeyYOZCEWFHYKLCDB-WZWXSLMZSA-N
XLogP0.48
TPSA51.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine?
The IUPAC name of (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine (CID 145257736) is (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine.
What is the SMILES notation for (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine?
The canonical SMILES for (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine is [H]/N=C1C(=C\N=C)/N=CN/1C.
What is the InChIKey of (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine?
The InChIKey is YOZCEWFHYKLCDB-WZWXSLMZSA-N. The full InChI is InChI=1S/C6H8N4/c1-8-3-5-6(7)10(2)4-9-5/h3-4,7H,1H2,2H3/b5-3+,7-6-.
What are the key properties of (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine?
(5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine has a molecular weight of 136.16 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(methylideneamino)methylidene]imidazol-4-imine is sourced from PubChem (CID 145257736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).