3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one

C10H9N3O — CID 20522388

IUPAC3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one
SMILESCc1cncc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C10H9N3O/c1-7-4-8(6-11-5-7)9-2-3-10(14)13-12-9/h2-6H,1H3,(H,13,14)
InChIKeyPWKDVSFTKHEPKK-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.14
Rot. Bonds1

About 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one

3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one (PubChem CID 20522388) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one
PubChem CID20522388
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one
SMILESCc1cncc(-c2ccc(=O)[nH]n2)c1
InChIInChI=1S/C10H9N3O/c1-7-4-8(6-11-5-7)9-2-3-10(14)13-12-9/h2-6H,1H3,(H,13,14)
InChIKeyPWKDVSFTKHEPKK-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one (CID 20522388) is 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one is Cc1cncc(-c2ccc(=O)[nH]n2)c1.
What is the InChIKey of 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one?
The InChIKey is PWKDVSFTKHEPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-7-4-8(6-11-5-7)9-2-3-10(14)13-12-9/h2-6H,1H3,(H,13,14).
What are the key properties of 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one?
3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one has a molecular weight of 187.20 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-pyridinyl)-1H-pyridazin-6-one is sourced from PubChem (CID 20522388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).