3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide

C9H16N4O — CID 14766719

IUPAC3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide
SMILESCCc1nc(C)cn1CCC(=O)NN
InChIInChI=1S/C9H16N4O/c1-3-8-11-7(2)6-13(8)5-4-9(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14)
InChIKeyQGYNEYGNVVEAFP-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.13
Rot. Bonds4

About 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide

3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide (PubChem CID 14766719) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide
PubChem CID14766719
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide
SMILESCCc1nc(C)cn1CCC(=O)NN
InChIInChI=1S/C9H16N4O/c1-3-8-11-7(2)6-13(8)5-4-9(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14)
InChIKeyQGYNEYGNVVEAFP-UHFFFAOYSA-N
XLogP0.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.13
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide?
The IUPAC name of 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide (CID 14766719) is 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide is CCc1nc(C)cn1CCC(=O)NN.
What is the InChIKey of 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide?
The InChIKey is QGYNEYGNVVEAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-8-11-7(2)6-13(8)5-4-9(14)12-10/h6H,3-5,10H2,1-2H3,(H,12,14).
What are the key properties of 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide?
3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide has a molecular weight of 196.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-4-methylimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 14766719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).