2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid

C9H16N3O5P — CID 70603561

IUPAC2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid
SMILESCC(C)(NN)C(=O)c1ccncc1.O=P(O)(O)O
InChIInChI=1S/C9H13N3O.H3O4P/c1-9(2,12-10)8(13)7-3-5-11-6-4-7;1-5(2,3)4/h3-6,12H,10H2,1-2H3;(H3,1,2,3,4)
InChIKeyOEQPVIWQYAOVKC-UHFFFAOYSA-N
MW277.22 g/mol
LogP-0.42
Rot. Bonds3

About 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid

2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid (PubChem CID 70603561) has the molecular formula C9H16N3O5P and a molecular weight of 277.22 g/mol. Its IUPAC name is 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid.

Molecular Properties

Compound Name2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid
PubChem CID70603561
Molecular FormulaC9H16N3O5P
Molecular Weight277.22 g/mol
Exact Mass277.08
IUPAC Name2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid
SMILESCC(C)(NN)C(=O)c1ccncc1.O=P(O)(O)O
InChIInChI=1S/C9H13N3O.H3O4P/c1-9(2,12-10)8(13)7-3-5-11-6-4-7;1-5(2,3)4/h3-6,12H,10H2,1-2H3;(H3,1,2,3,4)
InChIKeyOEQPVIWQYAOVKC-UHFFFAOYSA-N
XLogP-0.42
TPSA145.77 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 5-0.42
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tris[amino-(2-methyl-1-oxo-1-pyridin-4-ylpropan-2-yl)amino] phosphate
CID 141000498
CID 69045386
CID 69045386
pyridine-4-carbohydrazide;trihydrate;hydrochloride
CID 67630424
hydrazinecarboxylic acid;pyridine-4-carboxylic acid
CID 161178249
molybdenum;pentane-2,4-dione;pyridine-4-carbohydrazide
CID 161308535
N'-(2,2,2-trifluoroacetyl)pyridine-4-carbohydrazide
CID 571551
3,3,3-trifluoro-2-methyl-2-(pyridine-4-carbonylamino)propanoic acid
CID 79795224
N-(2-hydroxy-2-methylpropyl)pyridine-4-carboxamide
CID 65109884
N-[1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 17173747
N-[(1S)-1-(4-tert-butylphenyl)ethyl]pyridine-4-carboxamide
CID 42563511
N-(3,3-dimethyl-2-oxobutyl)pyridine-4-carboxamide
CID 856904
N-(3,3-dimethylbutyl)pyridine-4-carboxamide
CID 68891384

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid?
The IUPAC name of 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid (CID 70603561) is 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid.
What is the SMILES notation for 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid?
The canonical SMILES for 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid is CC(C)(NN)C(=O)c1ccncc1.O=P(O)(O)O.
What is the InChIKey of 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid?
The InChIKey is OEQPVIWQYAOVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.H3O4P/c1-9(2,12-10)8(13)7-3-5-11-6-4-7;1-5(2,3)4/h3-6,12H,10H2,1-2H3;(H3,1,2,3,4).
What are the key properties of 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid?
2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid has a molecular weight of 277.22 g/mol, XLogP of -0.42, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-2-methyl-1-pyridin-4-ylpropan-1-one;phosphoric acid is sourced from PubChem (CID 70603561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).