3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide

C13H15N5O2 — CID 70546309

IUPAC3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide
SMILESCC(C)n1nc(-c2ccncc2)cc(C(=O)NN)c1=O
InChIInChI=1S/C13H15N5O2/c1-8(2)18-13(20)10(12(19)16-14)7-11(17-18)9-3-5-15-6-4-9/h3-8H,14H2,1-2H3,(H,16,19)
InChIKeyZPYYVPMWYZBWTD-UHFFFAOYSA-N
MW273.30 g/mol
LogP0.49
Rot. Bonds3

About 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide

3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide (PubChem CID 70546309) has the molecular formula C13H15N5O2 and a molecular weight of 273.30 g/mol. Its IUPAC name is 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide.

Molecular Properties

Compound Name3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide
PubChem CID70546309
Molecular FormulaC13H15N5O2
Molecular Weight273.30 g/mol
Exact Mass273.12
IUPAC Name3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide
SMILESCC(C)n1nc(-c2ccncc2)cc(C(=O)NN)c1=O
InChIInChI=1S/C13H15N5O2/c1-8(2)18-13(20)10(12(19)16-14)7-11(17-18)9-3-5-15-6-4-9/h3-8H,14H2,1-2H3,(H,16,19)
InChIKeyZPYYVPMWYZBWTD-UHFFFAOYSA-N
XLogP0.49
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide?
The IUPAC name of 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide (CID 70546309) is 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide.
What is the SMILES notation for 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide?
The canonical SMILES for 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide is CC(C)n1nc(-c2ccncc2)cc(C(=O)NN)c1=O.
What is the InChIKey of 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide?
The InChIKey is ZPYYVPMWYZBWTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2/c1-8(2)18-13(20)10(12(19)16-14)7-11(17-18)9-3-5-15-6-4-9/h3-8H,14H2,1-2H3,(H,16,19).
What are the key properties of 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide?
3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide has a molecular weight of 273.30 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide is sourced from PubChem (CID 70546309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).