1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone

C8H12N2O — CID 59161588

IUPAC1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone
SMILESC=C1NN=C(C(C)=O)CC1C
InChIInChI=1S/C8H12N2O/c1-5-4-8(7(3)11)10-9-6(5)2/h5,9H,2,4H2,1,3H3
InChIKeyHZOGQDJBUXYVBS-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.07
Rot. Bonds1

About 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone

1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone (PubChem CID 59161588) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone
PubChem CID59161588
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone
SMILESC=C1NN=C(C(C)=O)CC1C
InChIInChI=1S/C8H12N2O/c1-5-4-8(7(3)11)10-9-6(5)2/h5,9H,2,4H2,1,3H3
InChIKeyHZOGQDJBUXYVBS-UHFFFAOYSA-N
XLogP1.07
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5R)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-3-yl]ethanone
CID 99990046
1-(2-acetyl-4-methylidenecyclopentyl)ethanone
CID 13218158
1-(5-tert-butyl-4,5-dihydro-1,2-oxazol-3-yl)ethanone
CID 102418662
1-(4-methyl-3-methylidene-1λ3-iodacyclopenten-2-yl)ethanone
CID 163728641
5-acetyl-4-methyl-3,4-dihydro-1H-pyridin-2-one
CID 2751318
1-(1H-diazirin-3-yl)propan-2-one
CID 175432334
(2Z)-1-(2,3-dimethylbut-3-en-2-yl)-2-ethylidene-3-methyl-5-methylidenepyrrolidine
CID 135235364
1-(5,5-dimethyl-4H-1,2-oxazol-3-yl)ethanone
CID 144552599
1-[(3R)-5-methylidenepyrrolidin-3-yl]ethanone
CID 144542761
1-(4,4,5,5,6,6-hexadeuterio-3H-pyridin-2-yl)ethanone
CID 169432733
N-[4-[(4S)-4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl]phenyl]acetamide
CID 10562323
3-(2,5-dimethylmorpholine-4-carbonyl)-4,5-dihydro-1H-pyridazin-6-one
CID 43420922

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone?
The IUPAC name of 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone (CID 59161588) is 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone.
What is the SMILES notation for 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone?
The canonical SMILES for 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone is C=C1NN=C(C(C)=O)CC1C.
What is the InChIKey of 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone?
The InChIKey is HZOGQDJBUXYVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-5-4-8(7(3)11)10-9-6(5)2/h5,9H,2,4H2,1,3H3.
What are the key properties of 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone?
1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone has a molecular weight of 152.20 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-6-methylidene-4,5-dihydro-1H-pyridazin-3-yl)ethanone is sourced from PubChem (CID 59161588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).