ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate

C9H15N5O2 — CID 135443541

IUPACethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(C)nc1/N=N/N(C)C
InChIInChI=1S/C9H15N5O2/c1-5-16-9(15)7-8(11-6(2)10-7)12-13-14(3)4/h5H2,1-4H3,(H,10,11)/b13-12+
InChIKeyNUEUPPUYXCLQHE-OUKQBFOZSA-N
MW225.25 g/mol
LogP1.46
Rot. Bonds4

About ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate

ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate (PubChem CID 135443541) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate
PubChem CID135443541
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Nameethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(C)nc1/N=N/N(C)C
InChIInChI=1S/C9H15N5O2/c1-5-16-9(15)7-8(11-6(2)10-7)12-13-14(3)4/h5H2,1-4H3,(H,10,11)/b13-12+
InChIKeyNUEUPPUYXCLQHE-OUKQBFOZSA-N
XLogP1.46
TPSA82.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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'}

Analyze ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate (CID 135443541) is ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(C)nc1/N=N/N(C)C.
What is the InChIKey of ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate?
The InChIKey is NUEUPPUYXCLQHE-OUKQBFOZSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5-16-9(15)7-8(11-6(2)10-7)12-13-14(3)4/h5H2,1-4H3,(H,10,11)/b13-12+.
What are the key properties of ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate?
ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate has a molecular weight of 225.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(E)-dimethylaminodiazenyl]-2-methyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 135443541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).