ethane;2-pyridin-1-ium-1-ylacetohydrazide

C9H16N3O+ — CID 158150768

IUPACethane;2-pyridin-1-ium-1-ylacetohydrazide
SMILESCC.NNC(=O)C[n+]1ccccc1
InChIInChI=1S/C7H9N3O.C2H6/c8-9-7(11)6-10-4-2-1-3-5-10;1-2/h1-5H,6,8H2;1-2H3/p+1
InChIKeyLLJOEBXIHNCPOC-UHFFFAOYSA-O
MW182.25 g/mol
LogP-0.01
Rot. Bonds2

About ethane;2-pyridin-1-ium-1-ylacetohydrazide

ethane;2-pyridin-1-ium-1-ylacetohydrazide (PubChem CID 158150768) has the molecular formula C9H16N3O+ and a molecular weight of 182.25 g/mol. Its IUPAC name is ethane;2-pyridin-1-ium-1-ylacetohydrazide.

Molecular Properties

Compound Nameethane;2-pyridin-1-ium-1-ylacetohydrazide
PubChem CID158150768
Molecular FormulaC9H16N3O+
Molecular Weight182.25 g/mol
Exact Mass182.13
IUPAC Nameethane;2-pyridin-1-ium-1-ylacetohydrazide
SMILESCC.NNC(=O)C[n+]1ccccc1
InChIInChI=1S/C7H9N3O.C2H6/c8-9-7(11)6-10-4-2-1-3-5-10;1-2/h1-5H,6,8H2;1-2H3/p+1
InChIKeyLLJOEBXIHNCPOC-UHFFFAOYSA-O
XLogP-0.01
TPSA59.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of ethane;2-pyridin-1-ium-1-ylacetohydrazide?
The IUPAC name of ethane;2-pyridin-1-ium-1-ylacetohydrazide (CID 158150768) is ethane;2-pyridin-1-ium-1-ylacetohydrazide.
What is the SMILES notation for ethane;2-pyridin-1-ium-1-ylacetohydrazide?
The canonical SMILES for ethane;2-pyridin-1-ium-1-ylacetohydrazide is CC.NNC(=O)C[n+]1ccccc1.
What is the InChIKey of ethane;2-pyridin-1-ium-1-ylacetohydrazide?
The InChIKey is LLJOEBXIHNCPOC-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N3O.C2H6/c8-9-7(11)6-10-4-2-1-3-5-10;1-2/h1-5H,6,8H2;1-2H3/p+1.
What are the key properties of ethane;2-pyridin-1-ium-1-ylacetohydrazide?
ethane;2-pyridin-1-ium-1-ylacetohydrazide has a molecular weight of 182.25 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-pyridin-1-ium-1-ylacetohydrazide is sourced from PubChem (CID 158150768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).