4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one

C7H7N3O — CID 54197102

IUPAC4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one
SMILESO=c1[nH]ncc2c1N=CCC2
InChIInChI=1S/C7H7N3O/c11-7-6-5(4-9-10-7)2-1-3-8-6/h3-4H,1-2H2,(H,10,11)
InChIKeyPMPHYPQXHMXTEP-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.42
Rot. Bonds

About 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one

4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 54197102) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one
PubChem CID54197102
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one
SMILESO=c1[nH]ncc2c1N=CCC2
InChIInChI=1S/C7H7N3O/c11-7-6-5(4-9-10-7)2-1-3-8-6/h3-4H,1-2H2,(H,10,11)
InChIKeyPMPHYPQXHMXTEP-UHFFFAOYSA-N
XLogP0.42
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one (CID 54197102) is 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one is O=c1[nH]ncc2c1N=CCC2.
What is the InChIKey of 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is PMPHYPQXHMXTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-6-5(4-9-10-7)2-1-3-8-6/h3-4H,1-2H2,(H,10,11).
What are the key properties of 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one?
4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 149.15 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dihydro-3H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 54197102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).