4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide

C7H13N7 — CID 135778850

IUPAC4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide
SMILESC/N=C(\N)c1[nH]cnc1/N=N/N(C)C
InChIInChI=1S/C7H13N7/c1-9-6(8)5-7(11-4-10-5)12-13-14(2)3/h4H,1-3H3,(H2,8,9)(H,10,11)/b13-12+
InChIKeyVBFXWBABXCIKRL-OUKQBFOZSA-N
MW195.23 g/mol
LogP0.31
Rot. Bonds3

About 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide

4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide (PubChem CID 135778850) has the molecular formula C7H13N7 and a molecular weight of 195.23 g/mol. Its IUPAC name is 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide.

Molecular Properties

Compound Name4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide
PubChem CID135778850
Molecular FormulaC7H13N7
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide
SMILESC/N=C(\N)c1[nH]cnc1/N=N/N(C)C
InChIInChI=1S/C7H13N7/c1-9-6(8)5-7(11-4-10-5)12-13-14(2)3/h4H,1-3H3,(H2,8,9)(H,10,11)/b13-12+
InChIKeyVBFXWBABXCIKRL-OUKQBFOZSA-N
XLogP0.31
TPSA95.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 50.31
H-Bond Donors ≤ 52
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbohydrazide
CID 135418548
4-[(E)-[hydroxymethyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135518056
4-(dimethylaminodiazenyl)-1H-imidazole-5-carboxamide;5-fluoro-1H-pyrimidine-2,4-dione
CID 173010993
4-[(E)-[benzyl(dimethylamino)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135468258
CID 135524549
CID 135524549
4-[(E)-[bis(prop-2-enyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 135459437
2-[2-acetyloxyethyl-[(E)-(5-carbamoyl-1H-imidazol-4-yl)diazenyl]amino]ethyl acetate
CID 135459384
4-[(E)-[acetyl(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxamide
CID 166540383
4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carbohydrazide
CID 135509549
butyl 4-[(E)-[butyl(methyl)amino]diazenyl]-1H-imidazole-5-carboxylate
CID 135478670
4-[(Z)-butylideneamino]-N'-prop-1-en-2-yl-1H-imidazole-5-carboximidamide
CID 143020873
methyl 4-[(E)-[bis(2-fluoroethyl)amino]diazenyl]-1H-imidazole-5-carboxylate
CID 135684125

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide?
The IUPAC name of 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide (CID 135778850) is 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide.
What is the SMILES notation for 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide?
The canonical SMILES for 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide is C/N=C(\N)c1[nH]cnc1/N=N/N(C)C.
What is the InChIKey of 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide?
The InChIKey is VBFXWBABXCIKRL-OUKQBFOZSA-N. The full InChI is InChI=1S/C7H13N7/c1-9-6(8)5-7(11-4-10-5)12-13-14(2)3/h4H,1-3H3,(H2,8,9)(H,10,11)/b13-12+.
What are the key properties of 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide?
4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide has a molecular weight of 195.23 g/mol, XLogP of 0.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-dimethylaminodiazenyl]-N'-methyl-1H-imidazole-5-carboximidamide is sourced from PubChem (CID 135778850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).