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

C6H7N3 — CID 169113379

IUPACN-ethenyl-5-methylidene-1H-imidazol-4-imine
SMILESC=C/N=C1\N=CNC1=C
InChIInChI=1S/C6H7N3/c1-3-7-6-5(2)8-4-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKeyMPCSLWFQZKDHKJ-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.67
Rot. Bonds1

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

N-ethenyl-5-methylidene-1H-imidazol-4-imine (PubChem CID 169113379) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is N-ethenyl-5-methylidene-1H-imidazol-4-imine.

Molecular Properties

Compound NameN-ethenyl-5-methylidene-1H-imidazol-4-imine
PubChem CID169113379
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC NameN-ethenyl-5-methylidene-1H-imidazol-4-imine
SMILESC=C/N=C1\N=CNC1=C
InChIInChI=1S/C6H7N3/c1-3-7-6-5(2)8-4-9-6/h3-4H,1-2H2,(H,7,8,9)
InChIKeyMPCSLWFQZKDHKJ-UHFFFAOYSA-N
XLogP0.67
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.67
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
(E)-1,4-dihydroimidazol-5-ylidenemethanamine
CID 70120460
1,4-Dihydroimidazol-5-ylidenemethanamine
CID 70120461
5-Iodo-1,6-dihydropyrrolo[2,3-b]pyrazine
CID 87649753
(5Z)-5-(1-chloroethylidene)-N-ethenylimidazol-4-amine
CID 89509482
1,5-Dihydroimidazo[4,5-e][1,4]diazepine
CID 91462181
2,8,10-Triazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 123736072
2,5,8,10-Tetrazabicyclo[5.3.0]deca-1,3,4,6,9-pentaene
CID 129034702
1,5-Dihydroimidazo[4,5-e][1,2,4]triazepine
CID 136503629
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-ethyl-5-ethylidene-1H-imidazol-4-imine
CID 137220482

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-5-methylidene-1H-imidazol-4-imine?
The IUPAC name of N-ethenyl-5-methylidene-1H-imidazol-4-imine (CID 169113379) is N-ethenyl-5-methylidene-1H-imidazol-4-imine.
What is the SMILES notation for N-ethenyl-5-methylidene-1H-imidazol-4-imine?
The canonical SMILES for N-ethenyl-5-methylidene-1H-imidazol-4-imine is C=C/N=C1\N=CNC1=C.
What is the InChIKey of N-ethenyl-5-methylidene-1H-imidazol-4-imine?
The InChIKey is MPCSLWFQZKDHKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-3-7-6-5(2)8-4-9-6/h3-4H,1-2H2,(H,7,8,9).
What are the key properties of N-ethenyl-5-methylidene-1H-imidazol-4-imine?
N-ethenyl-5-methylidene-1H-imidazol-4-imine has a molecular weight of 121.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-5-methylidene-1H-imidazol-4-imine is sourced from PubChem (CID 169113379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).