1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one

C9H14N6O2 — CID 138389991

IUPAC1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cn(CCO)nn1
InChIInChI=1S/C9H14N6O2/c1-2-15-7(8(10)11-9(15)17)6-5-14(3-4-16)13-12-6/h5,7,16H,2-4H2,1H3,(H2,10,11,17)
InChIKeyFQYYMCFLTNHJGC-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.67
Rot. Bonds4

About 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one

1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one (PubChem CID 138389991) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one.

Molecular Properties

Compound Name1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one
PubChem CID138389991
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one
SMILES[H]/N=C1\NC(=O)N(CC)C1c1cn(CCO)nn1
InChIInChI=1S/C9H14N6O2/c1-2-15-7(8(10)11-9(15)17)6-5-14(3-4-16)13-12-6/h5,7,16H,2-4H2,1H3,(H2,10,11,17)
InChIKeyFQYYMCFLTNHJGC-UHFFFAOYSA-N
XLogP-0.67
TPSA107.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-ethyl-5-(4-ethylphenyl)-4-iminoimidazolidin-2-one
CID 138389994
1-ethyl-5-(3-ethylimidazol-4-yl)-4-iminoimidazolidin-2-one
CID 138389445
1-ethyl-4-imino-5-(2,4,6-trimethoxyphenyl)imidazolidin-2-one
CID 138388253
5-(2,4-dimethoxyphenyl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138389446
2-[4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)triazol-1-yl]ethanol
CID 79509398
5-amino-4-[1-(2-hydroxyethyl)triazol-4-yl]-3-(2-methoxyethyl)-4H-imidazol-2-one
CID 79968127
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390828
5-(2-bromo-5-chlorophenyl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390755
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-ethyl-4-iminoimidazolidin-2-one
CID 138390221
5-[4-(difluoromethoxy)phenyl]-1-ethyl-4-iminoimidazolidin-2-one
CID 138390678
1-ethyl-4-imino-5-(1-methyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 138389849
2-(4-methyltriazol-1-yl)ethanol
CID 66634666

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one?
The IUPAC name of 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one (CID 138389991) is 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one.
What is the SMILES notation for 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one?
The canonical SMILES for 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one is [H]/N=C1\NC(=O)N(CC)C1c1cn(CCO)nn1.
What is the InChIKey of 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one?
The InChIKey is FQYYMCFLTNHJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-2-15-7(8(10)11-9(15)17)6-5-14(3-4-16)13-12-6/h5,7,16H,2-4H2,1H3,(H2,10,11,17).
What are the key properties of 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one?
1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one has a molecular weight of 238.25 g/mol, XLogP of -0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-[1-(2-hydroxyethyl)triazol-4-yl]-4-iminoimidazolidin-2-one is sourced from PubChem (CID 138389991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).