pyrimido[1,6-b]pyridazin-6-one

C7H5N3O — CID 71651014

IUPACpyrimido[1,6-b]pyridazin-6-one
SMILESO=c1cc2cccnn2cn1
InChIInChI=1S/C7H5N3O/c11-7-4-6-2-1-3-9-10(6)5-8-7/h1-5H
InChIKeyXQLBCQUFNNIKHN-UHFFFAOYSA-N
MW147.14 g/mol
LogP0.09
Rot. Bonds

About pyrimido[1,6-b]pyridazin-6-one

pyrimido[1,6-b]pyridazin-6-one (PubChem CID 71651014) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is pyrimido[1,6-b]pyridazin-6-one.

Molecular Properties

Compound Namepyrimido[1,6-b]pyridazin-6-one
PubChem CID71651014
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Namepyrimido[1,6-b]pyridazin-6-one
SMILESO=c1cc2cccnn2cn1
InChIInChI=1S/C7H5N3O/c11-7-4-6-2-1-3-9-10(6)5-8-7/h1-5H
InChIKeyXQLBCQUFNNIKHN-UHFFFAOYSA-N
XLogP0.09
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimido[1,6-b]pyridazin-6-one?
The IUPAC name of pyrimido[1,6-b]pyridazin-6-one (CID 71651014) is pyrimido[1,6-b]pyridazin-6-one.
What is the SMILES notation for pyrimido[1,6-b]pyridazin-6-one?
The canonical SMILES for pyrimido[1,6-b]pyridazin-6-one is O=c1cc2cccnn2cn1.
What is the InChIKey of pyrimido[1,6-b]pyridazin-6-one?
The InChIKey is XQLBCQUFNNIKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c11-7-4-6-2-1-3-9-10(6)5-8-7/h1-5H.
What are the key properties of pyrimido[1,6-b]pyridazin-6-one?
pyrimido[1,6-b]pyridazin-6-one has a molecular weight of 147.14 g/mol, XLogP of 0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimido[1,6-b]pyridazin-6-one is sourced from PubChem (CID 71651014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).