N-ethyl-1,2,5-trimethylimidazole-4-carboxamide

C9H15N3O — CID 21334868

IUPACN-ethyl-1,2,5-trimethylimidazole-4-carboxamide
SMILESCCNC(=O)c1nc(C)n(C)c1C
InChIInChI=1S/C9H15N3O/c1-5-10-9(13)8-6(2)12(4)7(3)11-8/h5H2,1-4H3,(H,10,13)
InChIKeyWPZKKWORBZADIS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.79
Rot. Bonds2

About N-ethyl-1,2,5-trimethylimidazole-4-carboxamide

N-ethyl-1,2,5-trimethylimidazole-4-carboxamide (PubChem CID 21334868) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-ethyl-1,2,5-trimethylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-1,2,5-trimethylimidazole-4-carboxamide
PubChem CID21334868
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-ethyl-1,2,5-trimethylimidazole-4-carboxamide
SMILESCCNC(=O)c1nc(C)n(C)c1C
InChIInChI=1S/C9H15N3O/c1-5-10-9(13)8-6(2)12(4)7(3)11-8/h5H2,1-4H3,(H,10,13)
InChIKeyWPZKKWORBZADIS-UHFFFAOYSA-N
XLogP0.79
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethimizol
CID 6168
N4,N5-Diethyl-1H-imidazole-4,5-dicarboxamide
CID 65549
4-N,4-N,5-N,5-N-tetraethyl-1H-imidazole-4,5-dicarboxamide
CID 44141956
N4,N4,N5,N5-tetraethyl-1-methylimidazole-4,5-dicarboxamide
CID 44201399
N4,N5,1-Trimethyl-1H-imidazole-4,5-dicarboxamide
CID 120428
8-Caffeine-propionamide
CID 64128
Desmethyletimizol
CID 130883
Imidazo(1,2-a)pyridine-2,3-dicarboxamide, 5,6,7,8-tetrahydro-N,N'-diethyl-7-methyl-
CID 218310
N,1-dibutyl-N-cyano-5-methylimidazole-4-carboxamide
CID 57398108
N,N'-Didesmethylethimizol
CID 162946
5-Amino-1,2-dimethyl-1H-imidazole-4-carboxamide
CID 592932
(5S)-N,N-diethyl-5-methyl-8-oxo-6,7-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 51358882

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,2,5-trimethylimidazole-4-carboxamide?
The IUPAC name of N-ethyl-1,2,5-trimethylimidazole-4-carboxamide (CID 21334868) is N-ethyl-1,2,5-trimethylimidazole-4-carboxamide.
What is the SMILES notation for N-ethyl-1,2,5-trimethylimidazole-4-carboxamide?
The canonical SMILES for N-ethyl-1,2,5-trimethylimidazole-4-carboxamide is CCNC(=O)c1nc(C)n(C)c1C.
What is the InChIKey of N-ethyl-1,2,5-trimethylimidazole-4-carboxamide?
The InChIKey is WPZKKWORBZADIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-5-10-9(13)8-6(2)12(4)7(3)11-8/h5H2,1-4H3,(H,10,13).
What are the key properties of N-ethyl-1,2,5-trimethylimidazole-4-carboxamide?
N-ethyl-1,2,5-trimethylimidazole-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,2,5-trimethylimidazole-4-carboxamide is sourced from PubChem (CID 21334868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).