trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium

C12H19N4O+ — CID 54047416

IUPACtrimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium
SMILESCC(=NNC(=O)C[N+](C)(C)C)c1ccncc1
InChIInChI=1S/C12H18N4O/c1-10(11-5-7-13-8-6-11)14-15-12(17)9-16(2,3)4/h5-8H,9H2,1-4H3/p+1
InChIKeyLQNLWYZYDVIGNW-UHFFFAOYSA-O
MW235.31 g/mol
LogP0.63
Rot. Bonds4

About trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium

trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium (PubChem CID 54047416) has the molecular formula C12H19N4O+ and a molecular weight of 235.31 g/mol. Its IUPAC name is trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium.

Molecular Properties

Compound Nametrimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium
PubChem CID54047416
Molecular FormulaC12H19N4O+
Molecular Weight235.31 g/mol
Exact Mass235.16
IUPAC Nametrimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium
SMILESCC(=NNC(=O)C[N+](C)(C)C)c1ccncc1
InChIInChI=1S/C12H18N4O/c1-10(11-5-7-13-8-6-11)14-15-12(17)9-16(2,3)4/h5-8H,9H2,1-4H3/p+1
InChIKeyLQNLWYZYDVIGNW-UHFFFAOYSA-O
XLogP0.63
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

3-oxo-N-(1-pyridin-4-ylethylideneamino)butanamide
CID 54265002
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
(1-pyridin-4-ylethylideneamino)urea
CID 2755736
N-[(Z)-1-pyridin-4-ylethylideneamino]nonanamide
CID 6373697
trimethyl-[2-oxo-2-[(2E)-2-(1-pyridin-2-ylethylidene)hydrazinyl]ethyl]azanium
CID 15703229
N-[(Z)-1-pyridin-4-ylethylideneamino]-2-thiophen-2-ylacetamide
CID 5393099
2-(4-acetamidophenoxy)-N-(1-pyridin-4-ylethylideneamino)acetamide
CID 4507277
2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)-N-[(Z)-1-pyridin-4-ylethylideneamino]acetamide
CID 6054179
trimethyl-[2-oxo-2-[(2E)-2-[1-(1,3-thiazol-2-yl)ethylidene]hydrazinyl]ethyl]azanium
CID 156598389
2-phenylacetic acid;N-(1-pyridin-4-ylethylideneamino)butanamide
CID 161253554
N-[(Z)-1-(4-tert-butylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 5394794
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium?
The IUPAC name of trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium (CID 54047416) is trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium.
What is the SMILES notation for trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium?
The canonical SMILES for trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium is CC(=NNC(=O)C[N+](C)(C)C)c1ccncc1.
What is the InChIKey of trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium?
The InChIKey is LQNLWYZYDVIGNW-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H18N4O/c1-10(11-5-7-13-8-6-11)14-15-12(17)9-16(2,3)4/h5-8H,9H2,1-4H3/p+1.
What are the key properties of trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium?
trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium has a molecular weight of 235.31 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-oxo-2-[2-(1-pyridin-4-ylethylidene)hydrazinyl]ethyl]azanium is sourced from PubChem (CID 54047416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).