5-methyl-4,5-dihydro-1H-pyridazin-6-one

C5H8N2O — CID 21479290

IUPAC5-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC=NNC1=O
InChIInChI=1S/C5H8N2O/c1-4-2-3-6-7-5(4)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyAHWLNKORVXQHFB-UHFFFAOYSA-N
MW112.13 g/mol
LogP0.13
Rot. Bonds

About 5-methyl-4,5-dihydro-1H-pyridazin-6-one

5-methyl-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 21479290) has the molecular formula C5H8N2O and a molecular weight of 112.13 g/mol. Its IUPAC name is 5-methyl-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4,5-dihydro-1H-pyridazin-6-one
PubChem CID21479290
Molecular FormulaC5H8N2O
Molecular Weight112.13 g/mol
Exact Mass112.06
IUPAC Name5-methyl-4,5-dihydro-1H-pyridazin-6-one
SMILESCC1CC=NNC1=O
InChIInChI=1S/C5H8N2O/c1-4-2-3-6-7-5(4)8/h3-4H,2H2,1H3,(H,7,8)
InChIKeyAHWLNKORVXQHFB-UHFFFAOYSA-N
XLogP0.13
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.13
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methyl-2-pyrazolin-5-one
CID 98935
4,5-Dihydropyridazin-3(2H)-one
CID 13034799
N'-[(1E)-2-methylpropylidene]cyclopropanecarbohydrazide
CID 9606481
5-methyl-4,5-dihydro-3(2H)pyridazinone
CID 21479294
N-(3-methylbutylideneamino)acetamide
CID 57351099
4,5-dihydro-4-(trifluoromethyl)pyridazin-3(2H)-one
CID 69607178
Acetic acid isobutylidene-hydrazide
CID 519289
Acetic acid, 2-(2-methylpropylidene)hydrazide
CID 9604622
3-methyl-N-[(E)-2-methylpropylideneamino]butanamide
CID 9660249
4,4-Dimethyl-1,5-dihydropyridazin-6-one
CID 13295916
N-[(E)-ethylideneamino]butanamide
CID 15130208
4-ethyl-4,5-dihydro-1H-pyridazin-6-one
CID 20061703

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4,5-dihydro-1H-pyridazin-6-one (CID 21479290) is 5-methyl-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4,5-dihydro-1H-pyridazin-6-one is CC1CC=NNC1=O.
What is the InChIKey of 5-methyl-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is AHWLNKORVXQHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O/c1-4-2-3-6-7-5(4)8/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 5-methyl-4,5-dihydro-1H-pyridazin-6-one?
5-methyl-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 112.13 g/mol, XLogP of 0.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 21479290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).