methyl-(1,4,5-trimethylimidazol-2-yl)diazene

C7H12N4 — CID 118299373

IUPACmethyl-(1,4,5-trimethylimidazol-2-yl)diazene
SMILESC/N=N/c1nc(C)c(C)n1C
InChIInChI=1S/C7H12N4/c1-5-6(2)11(4)7(9-5)10-8-3/h1-4H3/b10-8+
InChIKeyAYJWBTCBBAEZET-CSKARUKUSA-N
MW152.20 g/mol
LogP1.75
Rot. Bonds1

About methyl-(1,4,5-trimethylimidazol-2-yl)diazene

methyl-(1,4,5-trimethylimidazol-2-yl)diazene (PubChem CID 118299373) has the molecular formula C7H12N4 and a molecular weight of 152.20 g/mol. Its IUPAC name is methyl-(1,4,5-trimethylimidazol-2-yl)diazene.

Molecular Properties

Compound Namemethyl-(1,4,5-trimethylimidazol-2-yl)diazene
PubChem CID118299373
Molecular FormulaC7H12N4
Molecular Weight152.20 g/mol
Exact Mass152.11
IUPAC Namemethyl-(1,4,5-trimethylimidazol-2-yl)diazene
SMILESC/N=N/c1nc(C)c(C)n1C
InChIInChI=1S/C7H12N4/c1-5-6(2)11(4)7(9-5)10-8-3/h1-4H3/b10-8+
InChIKeyAYJWBTCBBAEZET-CSKARUKUSA-N
XLogP1.75
TPSA42.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl-(1,4,5-trimethylimidazol-2-yl)diazene?
The IUPAC name of methyl-(1,4,5-trimethylimidazol-2-yl)diazene (CID 118299373) is methyl-(1,4,5-trimethylimidazol-2-yl)diazene.
What is the SMILES notation for methyl-(1,4,5-trimethylimidazol-2-yl)diazene?
The canonical SMILES for methyl-(1,4,5-trimethylimidazol-2-yl)diazene is C/N=N/c1nc(C)c(C)n1C.
What is the InChIKey of methyl-(1,4,5-trimethylimidazol-2-yl)diazene?
The InChIKey is AYJWBTCBBAEZET-CSKARUKUSA-N. The full InChI is InChI=1S/C7H12N4/c1-5-6(2)11(4)7(9-5)10-8-3/h1-4H3/b10-8+.
What are the key properties of methyl-(1,4,5-trimethylimidazol-2-yl)diazene?
methyl-(1,4,5-trimethylimidazol-2-yl)diazene has a molecular weight of 152.20 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1,4,5-trimethylimidazol-2-yl)diazene is sourced from PubChem (CID 118299373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).