2-(2-propan-2-ylimidazol-1-yl)acetohydrazide

C8H14N4O — CID 63579371

IUPAC2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
SMILESCC(C)c1nccn1CC(=O)NN
InChIInChI=1S/C8H14N4O/c1-6(2)8-10-3-4-12(8)5-7(13)11-9/h3-4,6H,5,9H2,1-2H3,(H,11,13)
InChIKeySKOMSGPUMWUHHG-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.00
Rot. Bonds3

About 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide

2-(2-propan-2-ylimidazol-1-yl)acetohydrazide (PubChem CID 63579371) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
PubChem CID63579371
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(2-propan-2-ylimidazol-1-yl)acetohydrazide
SMILESCC(C)c1nccn1CC(=O)NN
InChIInChI=1S/C8H14N4O/c1-6(2)8-10-3-4-12(8)5-7(13)11-9/h3-4,6H,5,9H2,1-2H3,(H,11,13)
InChIKeySKOMSGPUMWUHHG-UHFFFAOYSA-N
XLogP-0.00
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyloxy-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 167840548
N-(3-amino-2-methylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198911
methyl 2-methyl-3-(2-propan-2-ylimidazol-1-yl)propanoate
CID 43538211
N-[4-(hydroxymethyl)thian-4-yl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 131961824
N-(5-amino-2-methoxyphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 43198896
N-[(5-chlorothiophen-2-yl)methyl]-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 86785368
5-[(2-propan-2-ylimidazol-1-yl)methyl]-1,2-oxazole-3-carbohydrazide
CID 55212892
5-[(2-propan-2-ylimidazol-1-yl)methyl]thiophene-2-carbohydrazide
CID 63577211
5-[(2-propan-2-ylimidazol-1-yl)methyl]furan-3-carbohydrazide
CID 63579908
2-[(2-propan-2-ylimidazol-1-yl)methyl]-N-propylprop-2-en-1-amine
CID 103071844
(2S)-1-(2-propan-2-ylimidazol-1-yl)propan-2-amine
CID 28794327
N-(2-fluoro-5-methylsulfonylphenyl)-2-(2-propan-2-ylimidazol-1-yl)acetamide
CID 75500271

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide?
The IUPAC name of 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide (CID 63579371) is 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide.
What is the SMILES notation for 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide?
The canonical SMILES for 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide is CC(C)c1nccn1CC(=O)NN.
What is the InChIKey of 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide?
The InChIKey is SKOMSGPUMWUHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6(2)8-10-3-4-12(8)5-7(13)11-9/h3-4,6H,5,9H2,1-2H3,(H,11,13).
What are the key properties of 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide?
2-(2-propan-2-ylimidazol-1-yl)acetohydrazide has a molecular weight of 182.23 g/mol, XLogP of -0.00, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-ylimidazol-1-yl)acetohydrazide is sourced from PubChem (CID 63579371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).