N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide

C7H12N4O — CID 70309768

IUPACN'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
SMILESCC(=O)NNCCc1cnc[nH]1
InChIInChI=1S/C7H12N4O/c1-6(12)11-10-3-2-7-4-8-5-9-7/h4-5,10H,2-3H2,1H3,(H,8,9)(H,11,12)
InChIKeyDITLWGFKSAMNNQ-UHFFFAOYSA-N
MW168.20 g/mol
LogP-0.41
Rot. Bonds4

About N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide

N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide (PubChem CID 70309768) has the molecular formula C7H12N4O and a molecular weight of 168.20 g/mol. Its IUPAC name is N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
PubChem CID70309768
Molecular FormulaC7H12N4O
Molecular Weight168.20 g/mol
Exact Mass168.10
IUPAC NameN'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide
SMILESCC(=O)NNCCc1cnc[nH]1
InChIInChI=1S/C7H12N4O/c1-6(12)11-10-3-2-7-4-8-5-9-7/h4-5,10H,2-3H2,1H3,(H,8,9)(H,11,12)
InChIKeyDITLWGFKSAMNNQ-UHFFFAOYSA-N
XLogP-0.41
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]-2-methylprop-2-enamide
CID 54544800
2-(1H-imidazol-5-yl)ethylurea
CID 10582986
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
2-acetamido-N-[2-(1H-imidazol-5-yl)ethyl]butanamide
CID 54153226
3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
CID 2574
N-[2-(1H-imidazol-5-yl)ethyl]heptanamide
CID 14712098
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
N-[2-(1H-imidazol-5-yl)ethyl]but-2-enamide
CID 77051956
4-amino-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylpentanamide
CID 65232151
2-[acetyl(methyl)amino]-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylpropanamide
CID 59900869
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
ethane;N-[(2S)-5-(1H-imidazol-5-yl)-3-oxopentan-2-yl]acetamide
CID 144964737

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide?
The IUPAC name of N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide (CID 70309768) is N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide.
What is the SMILES notation for N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide?
The canonical SMILES for N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide is CC(=O)NNCCc1cnc[nH]1.
What is the InChIKey of N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide?
The InChIKey is DITLWGFKSAMNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O/c1-6(12)11-10-3-2-7-4-8-5-9-7/h4-5,10H,2-3H2,1H3,(H,8,9)(H,11,12).
What are the key properties of N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide?
N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide has a molecular weight of 168.20 g/mol, XLogP of -0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-imidazol-5-yl)ethyl]acetohydrazide is sourced from PubChem (CID 70309768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).