3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one

C7H9N3O — CID 78166552

IUPAC3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one
SMILESO=C1NN=CC2=NCCCC12
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)4-9-10-7/h4-5H,1-3H2,(H,10,11)
InChIKeyHOJZISXBHBYQKD-UHFFFAOYSA-N
MW151.17 g/mol
LogP-0.05
Rot. Bonds

About 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one

3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one (PubChem CID 78166552) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one.

Molecular Properties

Compound Name3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one
PubChem CID78166552
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one
SMILESO=C1NN=CC2=NCCCC12
InChIInChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)4-9-10-7/h4-5H,1-3H2,(H,10,11)
InChIKeyHOJZISXBHBYQKD-UHFFFAOYSA-N
XLogP-0.05
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-hydroxy-1,3,3a,4,5,6-hexahydropyrrolo[2,3-b]pyridin-2-one
CID 163910411
6-benzyl-5-phenyl-2,3,4,5-tetrahydropyridine
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2,7-diazabicyclo[4.1.0]hept-1-ene;hydrazine
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12-methyl-11-thia-3,4-diazatricyclo[8.3.0.02,6]trideca-1(10),2,12-trien-5-one
CID 10059324
5-[4-[(5-oxo-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-8-yl)methyl]piperazin-1-yl]thiophene-2-carbonitrile
CID 154584635
2,3,6,7,8,9,10,10a-octahydrocycloocta[d]pyridazine-1,4-dione
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2-sulfanylidene-5,6,7,8-tetrahydro-4aH-quinazolin-4-one
CID 170921052
(7aS)-1,7a-dihydropyrazolo[4,3-d]pyrimidin-7-one
CID 97056718
3-(5-aminopyrimidin-2-yl)piperidine-2,6-dione
CID 177240318
8-[[4-(4-fluoro-2-methylphenyl)piperazin-1-yl]methyl]-3,4,4a,6-tetrahydro-2H-benzo[h][1,6]naphthyridin-5-one
CID 154584544

Frequently Asked Questions

What is the IUPAC name of 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one?
The IUPAC name of 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one (CID 78166552) is 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one.
What is the SMILES notation for 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one?
The canonical SMILES for 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one is O=C1NN=CC2=NCCCC12.
What is the InChIKey of 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one?
The InChIKey is HOJZISXBHBYQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-5-2-1-3-8-6(5)4-9-10-7/h4-5H,1-3H2,(H,10,11).
What are the key properties of 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one?
3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one has a molecular weight of 151.17 g/mol, XLogP of -0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4a,6-tetrahydro-2H-pyrido[2,3-d]pyridazin-5-one is sourced from PubChem (CID 78166552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).