3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

C12H10FN5O — CID 163289179

IUPAC3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(N)n[nH]c2cc1=O
InChIInChI=1S/C12H10FN5O/c1-6-3-2-4-7(13)11(6)18-9(19)5-8-10(17-18)12(14)16-15-8/h2-5,15H,1H3,(H2,14,16)
InChIKeyAEAHAWMGNSLOAH-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.14
Rot. Bonds1

About 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 163289179) has the molecular formula C12H10FN5O and a molecular weight of 259.24 g/mol. Its IUPAC name is 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID163289179
Molecular FormulaC12H10FN5O
Molecular Weight259.24 g/mol
Exact Mass259.09
IUPAC Name3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCc1cccc(F)c1-n1nc2c(N)n[nH]c2cc1=O
InChIInChI=1S/C12H10FN5O/c1-6-3-2-4-7(13)11(6)18-9(19)5-8-10(17-18)12(14)16-15-8/h2-5,15H,1H3,(H2,14,16)
InChIKeyAEAHAWMGNSLOAH-UHFFFAOYSA-N
XLogP1.14
TPSA89.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one
CID 6412478
N-(5-fluoro-2-methylphenyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 50926737
(4Z)-2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 1222386
2-(4-fluorophenyl)-5-methyl-4-[[5-methyl-2-(2-methylphenyl)-3-oxo-1H-pyrazol-4-yl]methylidene]pyrazol-3-one
CID 3382705
6-[3-(4-Fluorophenyl)-5-oxo-1,2-dihydropyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136350375
3-bromo-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163289155
3-chloro-5-(2-ethyl-6-fluorophenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360966
5-(2-Ethyl-6-fluorophenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163360971
3-chloro-5-(2-fluoro-6-propan-2-ylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163360975
5-(2-Fluoro-6-methylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163360991
3-chloro-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
CID 163361001
5-(2-Fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
CID 163361022

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 163289179) is 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is Cc1cccc(F)c1-n1nc2c(N)n[nH]c2cc1=O.
What is the InChIKey of 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is AEAHAWMGNSLOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN5O/c1-6-3-2-4-7(13)11(6)18-9(19)5-8-10(17-18)12(14)16-15-8/h2-5,15H,1H3,(H2,14,16).
What are the key properties of 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 259.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-fluoro-6-methylphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 163289179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).