2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one

C5H4N4O — CID 72745487

IUPAC2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one
SMILESO=C1NN=C2N=NC=CC12
InChIInChI=1S/C5H4N4O/c10-5-3-1-2-6-7-4(3)8-9-5/h1-3H,(H,9,10)
InChIKeyWRMDBXWWHMCOBB-UHFFFAOYSA-N
MW136.11 g/mol
LogP0.03
Rot. Bonds

About 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one

2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one (PubChem CID 72745487) has the molecular formula C5H4N4O and a molecular weight of 136.11 g/mol. Its IUPAC name is 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one.

Molecular Properties

Compound Name2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one
PubChem CID72745487
Molecular FormulaC5H4N4O
Molecular Weight136.11 g/mol
Exact Mass136.04
IUPAC Name2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one
SMILESO=C1NN=C2N=NC=CC12
InChIInChI=1S/C5H4N4O/c10-5-3-1-2-6-7-4(3)8-9-5/h1-3H,(H,9,10)
InChIKeyWRMDBXWWHMCOBB-UHFFFAOYSA-N
XLogP0.03
TPSA66.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.11
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-2,3a-dihydroindazol-3-one;hydrochloride
CID 71628826
5-(aminomethyl)-2,3a-dihydroindazol-3-one
CID 76848065
(4R)-3-methyl-4-[[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-1,4-dihydropyrazol-5-one
CID 98120874
6-bromo-3,4a-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 170903679
3-methyl-4-(4-methylphenyl)-1,4-dihydropyrazol-5-one
CID 604685
hydrazine;pyrazol-3-one
CID 158240948
(3aS)-4,6-dibromo-2,3a-dihydroindazol-3-one
CID 86311164
3,4,10,11-tetrazatetracyclo[6.6.1.02,6.09,13]pentadeca-2,9-diene-5,12-dione
CID 2833366
(4R)-3-methyl-4-[1-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]ethyl]-1,4-dihydropyrazol-5-one
CID 98140955
(4R)-4-[(2-chlorophenyl)-[(4R)-3-methyl-5-oxo-1,4-dihydropyrazol-4-yl]methyl]-3-methyl-1,4-dihydropyrazol-5-one
CID 1204703
4-methyl-3-(trifluoromethyl)-1,4-dihydropyrazol-5-one
CID 63743929
(5S)-5-methyl-3-phenyl-4,5-dihydro-1H-pyridazin-6-one
CID 11159775

Frequently Asked Questions

What is the IUPAC name of 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one?
The IUPAC name of 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one (CID 72745487) is 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one.
What is the SMILES notation for 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one?
The canonical SMILES for 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one is O=C1NN=C2N=NC=CC12.
What is the InChIKey of 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one?
The InChIKey is WRMDBXWWHMCOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N4O/c10-5-3-1-2-6-7-4(3)8-9-5/h1-3H,(H,9,10).
What are the key properties of 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one?
2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one has a molecular weight of 136.11 g/mol, XLogP of 0.03, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3a-dihydropyrazolo[3,4-c]pyridazin-3-one is sourced from PubChem (CID 72745487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).