3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one

C7H8N4O — CID 137274745

IUPAC3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one
SMILESCC1=NNc2nc[nH]c(=O)c2C1
InChIInChI=1S/C7H8N4O/c1-4-2-5-6(11-10-4)8-3-9-7(5)12/h3H,2H2,1H3,(H2,8,9,11,12)
InChIKeyZNADUQQAEBGLBI-UHFFFAOYSA-N
MW164.17 g/mol
LogP0.11
Rot. Bonds

About 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one

3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one (PubChem CID 137274745) has the molecular formula C7H8N4O and a molecular weight of 164.17 g/mol. Its IUPAC name is 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one.

Molecular Properties

Compound Name3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one
PubChem CID137274745
Molecular FormulaC7H8N4O
Molecular Weight164.17 g/mol
Exact Mass164.07
IUPAC Name3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one
SMILESCC1=NNc2nc[nH]c(=O)c2C1
InChIInChI=1S/C7H8N4O/c1-4-2-5-6(11-10-4)8-3-9-7(5)12/h3H,2H2,1H3,(H2,8,9,11,12)
InChIKeyZNADUQQAEBGLBI-UHFFFAOYSA-N
XLogP0.11
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.17
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one?
The IUPAC name of 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one (CID 137274745) is 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one.
What is the SMILES notation for 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one?
The canonical SMILES for 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one is CC1=NNc2nc[nH]c(=O)c2C1.
What is the InChIKey of 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one?
The InChIKey is ZNADUQQAEBGLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O/c1-4-2-5-6(11-10-4)8-3-9-7(5)12/h3H,2H2,1H3,(H2,8,9,11,12).
What are the key properties of 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one?
3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one has a molecular weight of 164.17 g/mol, XLogP of 0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4,6-dihydro-1H-pyrimido[4,5-c]pyridazin-5-one is sourced from PubChem (CID 137274745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).