(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene

C7H13N4+ — CID 123294209

IUPAC(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene
SMILESCC/N=N/c1n(C)cc[n+]1C
InChIInChI=1S/C7H13N4/c1-4-8-9-7-10(2)5-6-11(7)3/h5-6H,4H2,1-3H3/q+1
InChIKeyCBUGRQQAMCBRQV-UHFFFAOYSA-N
MW153.21 g/mol
LogP0.95
Rot. Bonds2

About (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene

(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene (PubChem CID 123294209) has the molecular formula C7H13N4+ and a molecular weight of 153.21 g/mol. Its IUPAC name is (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene.

Molecular Properties

Compound Name(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene
PubChem CID123294209
Molecular FormulaC7H13N4+
Molecular Weight153.21 g/mol
Exact Mass153.11
IUPAC Name(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene
SMILESCC/N=N/c1n(C)cc[n+]1C
InChIInChI=1S/C7H13N4/c1-4-8-9-7-10(2)5-6-11(7)3/h5-6H,4H2,1-3H3/q+1
InChIKeyCBUGRQQAMCBRQV-UHFFFAOYSA-N
XLogP0.95
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.21
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

(1,3-dimethylimidazol-1-ium-2-yl)-(4-methylphenyl)diazene
CID 58785058
2-[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]anilino]ethyl-dimethylazanium
CID 143373718
N,N'-bis[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]propane-1,3-diamine dichloride
CID 130422812
chloromethane;4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline
CID 143053640
chloromethane;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene
CID 145155356
2-iodo-1,3-dimethylimidazol-1-ium
CID 12009773
2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N,N-dimethylaniline chloride
CID 87243351
2-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]-N-methylaniline fluoride
CID 157479592
N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide chloride
CID 87206316
N-(1,3-dimethylimidazol-1-ium-2-yl)imino-N'-[(1,3-dimethylimidazol-2-ylidene)amino]ethanimidamide;methane
CID 172917963
4-[[4-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]diazenyl]-N,N-diethyl-3-methylaniline
CID 59180987
1-[4-amino-3-[(1,3-dimethylimidazol-1-ium-2-yl)diazenyl]phenyl]butan-2-one
CID 157440046

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene?
The IUPAC name of (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene (CID 123294209) is (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene.
What is the SMILES notation for (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene?
The canonical SMILES for (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene is CC/N=N/c1n(C)cc[n+]1C.
What is the InChIKey of (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene?
The InChIKey is CBUGRQQAMCBRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N4/c1-4-8-9-7-10(2)5-6-11(7)3/h5-6H,4H2,1-3H3/q+1.
What are the key properties of (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene?
(1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene has a molecular weight of 153.21 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylimidazol-1-ium-2-yl)-ethyldiazene is sourced from PubChem (CID 123294209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).