8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide

C13H10N6O2 — CID 132517905

IUPAC8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide
SMILESNNC(=O)c1n[nH]c(=O)c2nc(-c3ccccc3)ncc12
InChIInChI=1S/C13H10N6O2/c14-17-12(20)10-8-6-15-11(7-4-2-1-3-5-7)16-9(8)13(21)19-18-10/h1-6H,14H2,(H,17,20)(H,19,21)
InChIKeyGRFNJYXEZXVBCA-UHFFFAOYSA-N
MW282.26 g/mol
LogP-0.02
Rot. Bonds2

About 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide

8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide (PubChem CID 132517905) has the molecular formula C13H10N6O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide.

Molecular Properties

Compound Name8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide
PubChem CID132517905
Molecular FormulaC13H10N6O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide
SMILESNNC(=O)c1n[nH]c(=O)c2nc(-c3ccccc3)ncc12
InChIInChI=1S/C13H10N6O2/c14-17-12(20)10-8-6-15-11(7-4-2-1-3-5-7)16-9(8)13(21)19-18-10/h1-6H,14H2,(H,17,20)(H,19,21)
InChIKeyGRFNJYXEZXVBCA-UHFFFAOYSA-N
XLogP-0.02
TPSA126.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
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 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide?
The IUPAC name of 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide (CID 132517905) is 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide.
What is the SMILES notation for 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide?
The canonical SMILES for 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide is NNC(=O)c1n[nH]c(=O)c2nc(-c3ccccc3)ncc12.
What is the InChIKey of 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide?
The InChIKey is GRFNJYXEZXVBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6O2/c14-17-12(20)10-8-6-15-11(7-4-2-1-3-5-7)16-9(8)13(21)19-18-10/h1-6H,14H2,(H,17,20)(H,19,21).
What are the key properties of 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide?
8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide has a molecular weight of 282.26 g/mol, XLogP of -0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-2-phenyl-7H-pyrimido[4,5-d]pyridazine-5-carbohydrazide is sourced from PubChem (CID 132517905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).