7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one

C7H7N3O — CID 123139798

IUPAC7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2c1CCN=C2
InChIInChI=1S/C7H7N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h3-4H,1-2H2,(H,10,11)
InChIKeyAHKWBHYUIJXJOJ-UHFFFAOYSA-N
MW149.15 g/mol
LogP-0.26
Rot. Bonds

About 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one

7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 123139798) has the molecular formula C7H7N3O and a molecular weight of 149.15 g/mol. Its IUPAC name is 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one
PubChem CID123139798
Molecular FormulaC7H7N3O
Molecular Weight149.15 g/mol
Exact Mass149.06
IUPAC Name7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2c1CCN=C2
InChIInChI=1S/C7H7N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h3-4H,1-2H2,(H,10,11)
InChIKeyAHKWBHYUIJXJOJ-UHFFFAOYSA-N
XLogP-0.26
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 ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-Tetrahydropyrido[3,4-d]pyridazin-1(2H)-one
CID 71743925
5-ethyl-4-methyl-1H-pyridazin-6-one
CID 141002393
4,5-diethyl-1H-pyridazin-6-one
CID 152771836
5,6,7,8-Tetrahydropyrido[3,4-d]pyridazin-1(2H)-one hydrochloride
CID 71743924
6-Methyl-2,5,7,8-tetrahydropyrido[3,4-d]pyridazin-1-one
CID 145279557

Frequently Asked Questions

What is the IUPAC name of 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one (CID 123139798) is 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one is O=c1[nH]ncc2c1CCN=C2.
What is the InChIKey of 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is AHKWBHYUIJXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h3-4H,1-2H2,(H,10,11).
What are the key properties of 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one?
7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 149.15 g/mol, XLogP of -0.26, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydro-2H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 123139798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).