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

C9H9N3O — CID 175902827

IUPAC2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one
SMILESCc1cc2cn[nH]c(=O)c2nc1C
InChIInChI=1S/C9H9N3O/c1-5-3-7-4-10-12-9(13)8(7)11-6(5)2/h3-4H,1-2H3,(H,12,13)
InChIKeyDTTDNOAPJFIKNQ-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.93
Rot. Bonds

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

2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one (PubChem CID 175902827) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one.

Molecular Properties

Compound Name2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one
PubChem CID175902827
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one
SMILESCc1cc2cn[nH]c(=O)c2nc1C
InChIInChI=1S/C9H9N3O/c1-5-3-7-4-10-12-9(13)8(7)11-6(5)2/h3-4H,1-2H3,(H,12,13)
InChIKeyDTTDNOAPJFIKNQ-UHFFFAOYSA-N
XLogP0.93
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one?
The IUPAC name of 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one (CID 175902827) is 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one.
What is the SMILES notation for 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one?
The canonical SMILES for 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one is Cc1cc2cn[nH]c(=O)c2nc1C.
What is the InChIKey of 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one?
The InChIKey is DTTDNOAPJFIKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c1-5-3-7-4-10-12-9(13)8(7)11-6(5)2/h3-4H,1-2H3,(H,12,13).
What are the key properties of 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one?
2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one has a molecular weight of 175.19 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7H-pyrido[2,3-d]pyridazin-8-one is sourced from PubChem (CID 175902827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).