5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

C12H9FN4O2 — CID 163360991

IUPAC5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCc1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O
InChIInChI=1S/C12H9FN4O2/c1-6-3-2-4-7(13)11(6)17-9(18)5-8-10(16-17)12(19)15-14-8/h2-5,14H,1H3,(H,15,19)
InChIKeyPTCDCYWUOKKAQO-UHFFFAOYSA-N
MW260.23 g/mol
LogP0.85
Rot. Bonds1

About 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (PubChem CID 163360991) has the molecular formula C12H9FN4O2 and a molecular weight of 260.23 g/mol. Its IUPAC name is 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.

Molecular Properties

Compound Name5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
PubChem CID163360991
Molecular FormulaC12H9FN4O2
Molecular Weight260.23 g/mol
Exact Mass260.07
IUPAC Name5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCc1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O
InChIInChI=1S/C12H9FN4O2/c1-6-3-2-4-7(13)11(6)17-9(18)5-8-10(16-17)12(19)15-14-8/h2-5,14H,1H3,(H,15,19)
InChIKeyPTCDCYWUOKKAQO-UHFFFAOYSA-N
XLogP0.85
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The IUPAC name of 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (CID 163360991) is 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.
What is the SMILES notation for 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The canonical SMILES for 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is Cc1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O.
What is the InChIKey of 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The InChIKey is PTCDCYWUOKKAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O2/c1-6-3-2-4-7(13)11(6)17-9(18)5-8-10(16-17)12(19)15-14-8/h2-5,14H,1H3,(H,15,19).
What are the key properties of 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione has a molecular weight of 260.23 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is sourced from PubChem (CID 163360991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).