6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one

C12H15N3O — CID 1241104

IUPAC6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one
SMILESCC1=NN(CCc2ccccn2)C(=O)CC1
InChIInChI=1S/C12H15N3O/c1-10-5-6-12(16)15(14-10)9-7-11-4-2-3-8-13-11/h2-4,8H,5-7,9H2,1H3
InChIKeyKMWQPMNBOCGHBR-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.62
Rot. Bonds3

About 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one

6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one (PubChem CID 1241104) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one
PubChem CID1241104
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one
SMILESCC1=NN(CCc2ccccn2)C(=O)CC1
InChIInChI=1S/C12H15N3O/c1-10-5-6-12(16)15(14-10)9-7-11-4-2-3-8-13-11/h2-4,8H,5-7,9H2,1H3
InChIKeyKMWQPMNBOCGHBR-UHFFFAOYSA-N
XLogP1.62
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one (CID 1241104) is 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one is CC1=NN(CCc2ccccn2)C(=O)CC1.
What is the InChIKey of 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one?
The InChIKey is KMWQPMNBOCGHBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-10-5-6-12(16)15(14-10)9-7-11-4-2-3-8-13-11/h2-4,8H,5-7,9H2,1H3.
What are the key properties of 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one?
6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one has a molecular weight of 217.27 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(2-pyridin-2-ylethyl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 1241104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).