(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine

C6H9N3 — CID 156512404

IUPAC(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine
SMILESC/C=C1/NC=N/C1=N\C
InChIInChI=1S/C6H9N3/c1-3-5-6(7-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9)/b5-3+
InChIKeyGEWNSYACUJXOQJ-HWKANZROSA-N
MW123.16 g/mol
LogP0.55
Rot. Bonds

About (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine

(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine (PubChem CID 156512404) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine.

Molecular Properties

Compound Name(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine
PubChem CID156512404
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine
SMILESC/C=C1/NC=N/C1=N\C
InChIInChI=1S/C6H9N3/c1-3-5-6(7-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9)/b5-3+
InChIKeyGEWNSYACUJXOQJ-HWKANZROSA-N
XLogP0.55
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.55
H-Bond Donors ≤ 51
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 (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine?
The IUPAC name of (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine (CID 156512404) is (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine.
What is the SMILES notation for (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine?
The canonical SMILES for (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine is C/C=C1/NC=N/C1=N\C.
What is the InChIKey of (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine?
The InChIKey is GEWNSYACUJXOQJ-HWKANZROSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-5-6(7-2)9-4-8-5/h3-4H,1-2H3,(H,7,8,9)/b5-3+.
What are the key properties of (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine?
(5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine has a molecular weight of 123.16 g/mol, XLogP of 0.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-N-methyl-1H-imidazol-4-imine is sourced from PubChem (CID 156512404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).