3H-pyrimido[4,5-d]pyridazin-2-one

C6H4N4O — CID 123741261

IUPAC3H-pyrimido[4,5-d]pyridazin-2-one
SMILESO=c1nc2cnncc2c[nH]1
InChIInChI=1S/C6H4N4O/c11-6-7-1-4-2-8-9-3-5(4)10-6/h1-3H,(H,7,10,11)
InChIKeyOGLNUFIQHJIDBS-UHFFFAOYSA-N
MW148.12 g/mol
LogP-0.29
Rot. Bonds

About 3H-pyrimido[4,5-d]pyridazin-2-one

3H-pyrimido[4,5-d]pyridazin-2-one (PubChem CID 123741261) has the molecular formula C6H4N4O and a molecular weight of 148.12 g/mol. Its IUPAC name is 3H-pyrimido[4,5-d]pyridazin-2-one.

Molecular Properties

Compound Name3H-pyrimido[4,5-d]pyridazin-2-one
PubChem CID123741261
Molecular FormulaC6H4N4O
Molecular Weight148.12 g/mol
Exact Mass148.04
IUPAC Name3H-pyrimido[4,5-d]pyridazin-2-one
SMILESO=c1nc2cnncc2c[nH]1
InChIInChI=1S/C6H4N4O/c11-6-7-1-4-2-8-9-3-5(4)10-6/h1-3H,(H,7,10,11)
InChIKeyOGLNUFIQHJIDBS-UHFFFAOYSA-N
XLogP-0.29
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6H-pyrido[3,4-d]pyridazin-7-one
CID 163829766
3H-pyrimido[4,5-f]cinnolin-2-one
CID 67544162
3-oxo-2H-2,7-naphthyridine-4-carboxylic acid
CID 83829417
2,3-di(propan-2-yl)pyrazino[2,3-d]pyridazine
CID 90442279
5-ethenyl-1H-pyrimidin-2-one
CID 45080150
diaziridin-3-one
CID 18008550
pyrrolo[3,4-d]pyridazine-5,7-dione
CID 130684499
2,3-dichloropyrazino[2,3-d]pyridazine;hydrochloride
CID 90038567
5-(trifluoromethyl)-1H-pyrimidin-2-one;hydrochloride
CID 175748169
2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
CID 142106869
5-piperidin-4-yl-1H-pyrimidin-2-one;hydrochloride
CID 162339550
5-(aminomethoxy)-1H-pyrimidin-2-one
CID 117231127

Frequently Asked Questions

What is the IUPAC name of 3H-pyrimido[4,5-d]pyridazin-2-one?
The IUPAC name of 3H-pyrimido[4,5-d]pyridazin-2-one (CID 123741261) is 3H-pyrimido[4,5-d]pyridazin-2-one.
What is the SMILES notation for 3H-pyrimido[4,5-d]pyridazin-2-one?
The canonical SMILES for 3H-pyrimido[4,5-d]pyridazin-2-one is O=c1nc2cnncc2c[nH]1.
What is the InChIKey of 3H-pyrimido[4,5-d]pyridazin-2-one?
The InChIKey is OGLNUFIQHJIDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O/c11-6-7-1-4-2-8-9-3-5(4)10-6/h1-3H,(H,7,10,11).
What are the key properties of 3H-pyrimido[4,5-d]pyridazin-2-one?
3H-pyrimido[4,5-d]pyridazin-2-one has a molecular weight of 148.12 g/mol, XLogP of -0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyrimido[4,5-d]pyridazin-2-one is sourced from PubChem (CID 123741261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).