1,2-dihydropyridazine-3,6-dione;phenol

C10H10N2O3 — CID 67879839

IUPAC1,2-dihydropyridazine-3,6-dione;phenol
SMILESO=c1ccc(=O)[nH][nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H4N2O2/c7-6-4-2-1-3-5-6;7-3-1-2-4(8)6-5-3/h1-5,7H;1-2H,(H,5,7)(H,6,8)
InChIKeyWTFHXLCZPPGRQS-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.46
Rot. Bonds

About 1,2-dihydropyridazine-3,6-dione;phenol

1,2-dihydropyridazine-3,6-dione;phenol (PubChem CID 67879839) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 1,2-dihydropyridazine-3,6-dione;phenol.

Molecular Properties

Compound Name1,2-dihydropyridazine-3,6-dione;phenol
PubChem CID67879839
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name1,2-dihydropyridazine-3,6-dione;phenol
SMILESO=c1ccc(=O)[nH][nH]1.Oc1ccccc1
InChIInChI=1S/C6H6O.C4H4N2O2/c7-6-4-2-1-3-5-6;7-3-1-2-4(8)6-5-3/h1-5,7H;1-2H,(H,5,7)(H,6,8)
InChIKeyWTFHXLCZPPGRQS-UHFFFAOYSA-N
XLogP0.46
TPSA85.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydropyridazine-3,6-dione;phenol?
The IUPAC name of 1,2-dihydropyridazine-3,6-dione;phenol (CID 67879839) is 1,2-dihydropyridazine-3,6-dione;phenol.
What is the SMILES notation for 1,2-dihydropyridazine-3,6-dione;phenol?
The canonical SMILES for 1,2-dihydropyridazine-3,6-dione;phenol is O=c1ccc(=O)[nH][nH]1.Oc1ccccc1.
What is the InChIKey of 1,2-dihydropyridazine-3,6-dione;phenol?
The InChIKey is WTFHXLCZPPGRQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C4H4N2O2/c7-6-4-2-1-3-5-6;7-3-1-2-4(8)6-5-3/h1-5,7H;1-2H,(H,5,7)(H,6,8).
What are the key properties of 1,2-dihydropyridazine-3,6-dione;phenol?
1,2-dihydropyridazine-3,6-dione;phenol has a molecular weight of 206.20 g/mol, XLogP of 0.46, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydropyridazine-3,6-dione;phenol is sourced from PubChem (CID 67879839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).