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

C6H9N3 — CID 145445281

IUPACN-ethyl-5-methylidene-1H-imidazol-4-imine
SMILESC=C1NC=N/C1=N\CC
InChIInChI=1S/C6H9N3/c1-3-7-6-5(2)8-4-9-6/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyYUPBNMZZOAQFAU-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.55
Rot. Bonds1

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

N-ethyl-5-methylidene-1H-imidazol-4-imine (PubChem CID 145445281) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is N-ethyl-5-methylidene-1H-imidazol-4-imine.

Molecular Properties

Compound NameN-ethyl-5-methylidene-1H-imidazol-4-imine
PubChem CID145445281
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC NameN-ethyl-5-methylidene-1H-imidazol-4-imine
SMILESC=C1NC=N/C1=N\CC
InChIInChI=1S/C6H9N3/c1-3-7-6-5(2)8-4-9-6/h4H,2-3H2,1H3,(H,7,8,9)
InChIKeyYUPBNMZZOAQFAU-UHFFFAOYSA-N
XLogP0.55
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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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Related Compounds

1,7-Dihydroimidazo[4,5-d][1,3]diazepine
CID 20346529
(5Z)-5-(1-chloroethylidene)-N-ethenylimidazol-4-amine
CID 89509482
N-ethyl-2-(ethylideneamino)-N'-methylprop-2-enimidamide
CID 123430551
2,5,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 129034702
N-methyl-3-methylidene-1,4-dihydropyrazin-2-imine
CID 136596177
(5E)-N-ethyl-5-[(methylideneamino)methylidene]-1H-imidazol-4-imine
CID 137030202
(5E)-N-methyl-5-prop-2-enylidene-1H-imidazol-4-imine
CID 137157877
(5E)-N-ethyl-5-ethylidene-1H-imidazol-4-imine
CID 137220482
2-amino-N'-ethyl-N,N-dimethylprop-2-enimidamide
CID 140299110
5-methyl-1H-imidazo[4,5-e][1,4]diazepin-5-amine
CID 142608902
4,5-dimethylidene-1H-imidazole;ethane
CID 143274176
5-methylidene-N-prop-1-en-2-ylimidazol-4-amine
CID 144559078

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methylidene-1H-imidazol-4-imine?
The IUPAC name of N-ethyl-5-methylidene-1H-imidazol-4-imine (CID 145445281) is N-ethyl-5-methylidene-1H-imidazol-4-imine.
What is the SMILES notation for N-ethyl-5-methylidene-1H-imidazol-4-imine?
The canonical SMILES for N-ethyl-5-methylidene-1H-imidazol-4-imine is C=C1NC=N/C1=N\CC.
What is the InChIKey of N-ethyl-5-methylidene-1H-imidazol-4-imine?
The InChIKey is YUPBNMZZOAQFAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c1-3-7-6-5(2)8-4-9-6/h4H,2-3H2,1H3,(H,7,8,9).
What are the key properties of N-ethyl-5-methylidene-1H-imidazol-4-imine?
N-ethyl-5-methylidene-1H-imidazol-4-imine has a molecular weight of 123.16 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methylidene-1H-imidazol-4-imine is sourced from PubChem (CID 145445281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).