6-oxo-1H-pyridazine-4-carbohydrazide

C5H6N4O2 — CID 45122781

IUPAC6-oxo-1H-pyridazine-4-carbohydrazide
SMILESNNC(=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H6N4O2/c6-8-5(11)3-1-4(10)9-7-2-3/h1-2H,6H2,(H,8,11)(H,9,10)
InChIKeyCNBOQEGJGRCCIE-UHFFFAOYSA-N
MW154.13 g/mol
LogP-1.63
Rot. Bonds1

About 6-oxo-1H-pyridazine-4-carbohydrazide

6-oxo-1H-pyridazine-4-carbohydrazide (PubChem CID 45122781) has the molecular formula C5H6N4O2 and a molecular weight of 154.13 g/mol. Its IUPAC name is 6-oxo-1H-pyridazine-4-carbohydrazide.

Molecular Properties

Compound Name6-oxo-1H-pyridazine-4-carbohydrazide
PubChem CID45122781
Molecular FormulaC5H6N4O2
Molecular Weight154.13 g/mol
Exact Mass154.05
IUPAC Name6-oxo-1H-pyridazine-4-carbohydrazide
SMILESNNC(=O)c1cn[nH]c(=O)c1
InChIInChI=1S/C5H6N4O2/c6-8-5(11)3-1-4(10)9-7-2-3/h1-2H,6H2,(H,8,11)(H,9,10)
InChIKeyCNBOQEGJGRCCIE-UHFFFAOYSA-N
XLogP-1.63
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.13
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-oxo-1H-pyridazine-4-carbohydrazide?
The IUPAC name of 6-oxo-1H-pyridazine-4-carbohydrazide (CID 45122781) is 6-oxo-1H-pyridazine-4-carbohydrazide.
What is the SMILES notation for 6-oxo-1H-pyridazine-4-carbohydrazide?
The canonical SMILES for 6-oxo-1H-pyridazine-4-carbohydrazide is NNC(=O)c1cn[nH]c(=O)c1.
What is the InChIKey of 6-oxo-1H-pyridazine-4-carbohydrazide?
The InChIKey is CNBOQEGJGRCCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4O2/c6-8-5(11)3-1-4(10)9-7-2-3/h1-2H,6H2,(H,8,11)(H,9,10).
What are the key properties of 6-oxo-1H-pyridazine-4-carbohydrazide?
6-oxo-1H-pyridazine-4-carbohydrazide has a molecular weight of 154.13 g/mol, XLogP of -1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1H-pyridazine-4-carbohydrazide is sourced from PubChem (CID 45122781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).