4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride

C5H12ClN5 — CID 173207499

IUPAC4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride
SMILESCN1C=C(N=NN)N(C)C1.Cl
InChIInChI=1S/C5H11N5.ClH/c1-9-3-5(7-8-6)10(2)4-9;/h3H,4H2,1-2H3,(H2,6,7);1H
InChIKeyCESDSTNVLCNVGE-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.37
Rot. Bonds1

About 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride

4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride (PubChem CID 173207499) has the molecular formula C5H12ClN5 and a molecular weight of 177.64 g/mol. Its IUPAC name is 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride.

Molecular Properties

Compound Name4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride
PubChem CID173207499
Molecular FormulaC5H12ClN5
Molecular Weight177.64 g/mol
Exact Mass177.08
IUPAC Name4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride
SMILESCN1C=C(N=NN)N(C)C1.Cl
InChIInChI=1S/C5H11N5.ClH/c1-9-3-5(7-8-6)10(2)4-9;/h3H,4H2,1-2H3,(H2,6,7);1H
InChIKeyCESDSTNVLCNVGE-UHFFFAOYSA-N
XLogP0.37
TPSA57.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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1,3,8-trimethyl-2H-purine
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2-amino-3-(1,3-dimethyl-2H-imidazol-4-yl)propanoic acid
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(2E)-2-hydrazinylidene-1-methylimidazolidin-4-one
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(11E)-11-(aminodiazenyl)-12-ethyl-5-methyl-6H-benzo[c][1]benzazocine;ethane
CID 176713426
1-methyl-2H-pyridine-4,5-diamine
CID 141045250
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CID 66716539

Frequently Asked Questions

What is the IUPAC name of 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride?
The IUPAC name of 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride (CID 173207499) is 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride.
What is the SMILES notation for 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride?
The canonical SMILES for 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride is CN1C=C(N=NN)N(C)C1.Cl.
What is the InChIKey of 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride?
The InChIKey is CESDSTNVLCNVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5.ClH/c1-9-3-5(7-8-6)10(2)4-9;/h3H,4H2,1-2H3,(H2,6,7);1H.
What are the key properties of 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride?
4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminodiazenyl)-1,3-dimethyl-2H-imidazole;hydrochloride is sourced from PubChem (CID 173207499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).