2-(3-butylimidazol-1-ium-1-yl)acetohydrazide

C9H17N4O+ — CID 176507232

IUPAC2-(3-butylimidazol-1-ium-1-yl)acetohydrazide
SMILESCCCCn1cc[n+](CC(=O)NN)c1
InChIInChI=1S/C9H16N4O/c1-2-3-4-12-5-6-13(8-12)7-9(14)11-10/h5-6,8H,2-4,7,10H2,1H3/p+1
InChIKeyBGYGASOYHMVZND-UHFFFAOYSA-O
MW197.26 g/mol
LogP-0.43
Rot. Bonds5

About 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide

2-(3-butylimidazol-1-ium-1-yl)acetohydrazide (PubChem CID 176507232) has the molecular formula C9H17N4O+ and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide.

Molecular Properties

Compound Name2-(3-butylimidazol-1-ium-1-yl)acetohydrazide
PubChem CID176507232
Molecular FormulaC9H17N4O+
Molecular Weight197.26 g/mol
Exact Mass197.14
IUPAC Name2-(3-butylimidazol-1-ium-1-yl)acetohydrazide
SMILESCCCCn1cc[n+](CC(=O)NN)c1
InChIInChI=1S/C9H16N4O/c1-2-3-4-12-5-6-13(8-12)7-9(14)11-10/h5-6,8H,2-4,7,10H2,1H3/p+1
InChIKeyBGYGASOYHMVZND-UHFFFAOYSA-O
XLogP-0.43
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(3-octadecylimidazol-1-ium-1-yl)acetamide
CID 101244526
2-(3-heptadecylimidazol-1-ium-1-yl)acetic acid
CID 132547918
2-(3-undecylimidazol-1-ium-1-yl)acetic acid
CID 132547916
4-(3-butylimidazol-1-ium-1-yl)butanoate
CID 165151907
2-(3-butylimidazol-1-ium-1-yl)-N-(2,2,6,6-tetramethyl-1-oxidopiperidin-4-yl)acetamide
CID 101495930
N'-hydroxy-2-(3-pentadecylimidazol-1-ium-1-yl)ethanimidamide chloride
CID 45045359
1-butyl-3-propylimidazol-3-ium bromide
CID 16720567
1-propyl-3-[4-(3-propylimidazol-3-ium-1-yl)butyl]imidazol-1-ium
CID 118040993
1-hexadecyl-3-tridecylimidazol-3-ium
CID 87897288
1-dodecyl-3-undecylimidazol-3-ium
CID 87811099
1-tetradecyl-3-[6-(3-tetradecylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium
CID 102416106
1-docosyl-3-octadecylimidazol-1-ium
CID 102417147

Frequently Asked Questions

What is the IUPAC name of 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide?
The IUPAC name of 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide (CID 176507232) is 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide.
What is the SMILES notation for 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide?
The canonical SMILES for 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide is CCCCn1cc[n+](CC(=O)NN)c1.
What is the InChIKey of 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide?
The InChIKey is BGYGASOYHMVZND-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N4O/c1-2-3-4-12-5-6-13(8-12)7-9(14)11-10/h5-6,8H,2-4,7,10H2,1H3/p+1.
What are the key properties of 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide?
2-(3-butylimidazol-1-ium-1-yl)acetohydrazide has a molecular weight of 197.26 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-butylimidazol-1-ium-1-yl)acetohydrazide is sourced from PubChem (CID 176507232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).