2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide

C12H13N5O2 — CID 70545373

IUPAC2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
SMILESCCn1nc(-c2ccncc2)cc(C(=O)NN)c1=O
InChIInChI=1S/C12H13N5O2/c1-2-17-12(19)9(11(18)15-13)7-10(16-17)8-3-5-14-6-4-8/h3-7H,2,13H2,1H3,(H,15,18)
InChIKeyPUYLMOOXJPZYLP-UHFFFAOYSA-N
MW259.27 g/mol
LogP-0.07
Rot. Bonds3

About 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide

2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide (PubChem CID 70545373) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide.

Molecular Properties

Compound Name2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
PubChem CID70545373
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide
SMILESCCn1nc(-c2ccncc2)cc(C(=O)NN)c1=O
InChIInChI=1S/C12H13N5O2/c1-2-17-12(19)9(11(18)15-13)7-10(16-17)8-3-5-14-6-4-8/h3-7H,2,13H2,1H3,(H,15,18)
InChIKeyPUYLMOOXJPZYLP-UHFFFAOYSA-N
XLogP-0.07
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 5-0.07
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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Related Compounds

2-ethyl-6-(4-nitrophenyl)-3-oxopyridazine-4-carbohydrazide
CID 82445305
3-oxo-2-propan-2-yl-6-pyridin-4-ylpyridazine-4-carbohydrazide
CID 70546309
2-ethyl-4-methyl-6-pyridin-4-ylpyridazin-3-one
CID 20533850
1-ethyl-3-pyridin-4-ylpyrazole-5-carboxylic acid
CID 82376222
2-ethyl-6-(4-methylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444750
4-acetyl-2-ethyl-6-(4-ethylphenyl)pyridazin-3-one
CID 82444786
methyl 2-ethyl-6-(4-methoxyphenyl)-3-oxopyridazine-4-carboxylate
CID 15453538
2-ethyl-3-oxo-6-(4-propan-2-ylphenyl)pyridazine-4-carboxylic acid
CID 82444793
2-ethyl-6-(4-ethylphenyl)-3-oxopyridazine-4-carbothioamide
CID 82444777
4-[(2-ethyl-3-oxo-6-pyridin-4-ylpyridazin-4-yl)amino]benzonitrile
CID 11404329
1-(1-ethyl-3-pyridin-4-ylpyrazol-5-yl)-N-methylmethanamine
CID 121210948
2-ethyl-3-oxo-6-(4-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82445142

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide?
The IUPAC name of 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide (CID 70545373) is 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide.
What is the SMILES notation for 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide?
The canonical SMILES for 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide is CCn1nc(-c2ccncc2)cc(C(=O)NN)c1=O.
What is the InChIKey of 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide?
The InChIKey is PUYLMOOXJPZYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-2-17-12(19)9(11(18)15-13)7-10(16-17)8-3-5-14-6-4-8/h3-7H,2,13H2,1H3,(H,15,18).
What are the key properties of 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide?
2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide has a molecular weight of 259.27 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-oxo-6-pyridin-4-ylpyridazine-4-carbohydrazide is sourced from PubChem (CID 70545373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).