6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one

C8H8N4O — CID 118387184

IUPAC6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1CC=C(c2ncccn2)NN1
InChIInChI=1S/C8H8N4O/c13-7-3-2-6(11-12-7)8-9-4-1-5-10-8/h1-2,4-5,11H,3H2,(H,12,13)
InChIKeyLKXCFYJWRMYGNW-UHFFFAOYSA-N
MW176.18 g/mol
LogP-0.16
Rot. Bonds1

About 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one

6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one (PubChem CID 118387184) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one.

Molecular Properties

Compound Name6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one
PubChem CID118387184
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one
SMILESO=C1CC=C(c2ncccn2)NN1
InChIInChI=1S/C8H8N4O/c13-7-3-2-6(11-12-7)8-9-4-1-5-10-8/h1-2,4-5,11H,3H2,(H,12,13)
InChIKeyLKXCFYJWRMYGNW-UHFFFAOYSA-N
XLogP-0.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one?
The IUPAC name of 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one (CID 118387184) is 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one.
What is the SMILES notation for 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one?
The canonical SMILES for 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one is O=C1CC=C(c2ncccn2)NN1.
What is the InChIKey of 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one?
The InChIKey is LKXCFYJWRMYGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c13-7-3-2-6(11-12-7)8-9-4-1-5-10-8/h1-2,4-5,11H,3H2,(H,12,13).
What are the key properties of 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one?
6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one has a molecular weight of 176.18 g/mol, XLogP of -0.16, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrimidin-2-yl-2,4-dihydro-1H-pyridazin-3-one is sourced from PubChem (CID 118387184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).