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

C7H5N3O — CID 10909714

IUPAC2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2cnccc12
InChIInChI=1S/C7H5N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h1-4H,(H,10,11)
InChIKeyLVWFGUZOHQWWFU-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.32
Rot. Bonds

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

2H-pyrido[3,4-d]pyridazin-1-one (PubChem CID 10909714) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 2H-pyrido[3,4-d]pyridazin-1-one.

Molecular Properties

Compound Name2H-pyrido[3,4-d]pyridazin-1-one
PubChem CID10909714
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name2H-pyrido[3,4-d]pyridazin-1-one
SMILESO=c1[nH]ncc2cnccc12
InChIInChI=1S/C7H5N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h1-4H,(H,10,11)
InChIKeyLVWFGUZOHQWWFU-UHFFFAOYSA-N
XLogP0.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2H-pyrido[3,4-d]pyridazin-1-one?
The IUPAC name of 2H-pyrido[3,4-d]pyridazin-1-one (CID 10909714) is 2H-pyrido[3,4-d]pyridazin-1-one.
What is the SMILES notation for 2H-pyrido[3,4-d]pyridazin-1-one?
The canonical SMILES for 2H-pyrido[3,4-d]pyridazin-1-one is O=c1[nH]ncc2cnccc12.
What is the InChIKey of 2H-pyrido[3,4-d]pyridazin-1-one?
The InChIKey is LVWFGUZOHQWWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-6-1-2-8-3-5(6)4-9-10-7/h1-4H,(H,10,11).
What are the key properties of 2H-pyrido[3,4-d]pyridazin-1-one?
2H-pyrido[3,4-d]pyridazin-1-one has a molecular weight of 147.14 g/mol, XLogP of 0.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyrido[3,4-d]pyridazin-1-one is sourced from PubChem (CID 10909714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).