phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide

C9H16N3O5P — CID 9367

IUPACphosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide
SMILESCC(C)NNC(=O)c1ccncc1.O=P(O)(O)O
InChIInChI=1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)
InChIKeyYPDVTKJXVHYWFY-UHFFFAOYSA-N
MW277.22 g/mol
LogP-0.20
Rot. Bonds3

About phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide

phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide (PubChem CID 9367) has the molecular formula C9H16N3O5P and a molecular weight of 277.22 g/mol. Its IUPAC name is phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide.

Molecular Properties

Compound Namephosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide
PubChem CID9367
Molecular FormulaC9H16N3O5P
Molecular Weight277.22 g/mol
Exact Mass277.08
IUPAC Namephosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide
SMILESCC(C)NNC(=O)c1ccncc1.O=P(O)(O)O
InChIInChI=1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4)
InChIKeyYPDVTKJXVHYWFY-UHFFFAOYSA-N
XLogP-0.20
TPSA131.78 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide?
The IUPAC name of phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide (CID 9367) is phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide.
What is the SMILES notation for phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide?
The canonical SMILES for phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide is CC(C)NNC(=O)c1ccncc1.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide?
The InChIKey is YPDVTKJXVHYWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5(2,3)4/h3-7,11H,1-2H3,(H,12,13);(H3,1,2,3,4).
What are the key properties of phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide?
phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide has a molecular weight of 277.22 g/mol, XLogP of -0.20, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;N'-propan-2-ylpyridine-4-carbohydrazide is sourced from PubChem (CID 9367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).