ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate

C10H16N6O3 — CID 135499314

IUPACethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1[nH]cnc1/N=N/N(C)C
InChIInChI=1S/C10H16N6O3/c1-4-19-7(17)5-11-10(18)8-9(13-6-12-8)14-15-16(2)3/h6H,4-5H2,1-3H3,(H,11,18)(H,12,13)/b15-14+
InChIKeyFBTDTVJGRBRBRB-CCEZHUSRSA-N
MW268.28 g/mol
LogP0.26
Rot. Bonds6

About ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate

ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate (PubChem CID 135499314) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate
PubChem CID135499314
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Nameethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)c1[nH]cnc1/N=N/N(C)C
InChIInChI=1S/C10H16N6O3/c1-4-19-7(17)5-11-10(18)8-9(13-6-12-8)14-15-16(2)3/h6H,4-5H2,1-3H3,(H,11,18)(H,12,13)/b15-14+
InChIKeyFBTDTVJGRBRBRB-CCEZHUSRSA-N
XLogP0.26
TPSA112.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate (CID 135499314) is ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate is CCOC(=O)CNC(=O)c1[nH]cnc1/N=N/N(C)C.
What is the InChIKey of ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate?
The InChIKey is FBTDTVJGRBRBRB-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H16N6O3/c1-4-19-7(17)5-11-10(18)8-9(13-6-12-8)14-15-16(2)3/h6H,4-5H2,1-3H3,(H,11,18)(H,12,13)/b15-14+.
What are the key properties of ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate?
ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate has a molecular weight of 268.28 g/mol, XLogP of 0.26, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[4-[(E)-dimethylaminodiazenyl]-1H-imidazole-5-carbonyl]amino]acetate is sourced from PubChem (CID 135499314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).