ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol

C7H14N2O2 — CID 137384260

IUPACethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol
SMILESCCOC(O)C1CCC=NN1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)6-4-3-5-8-9-6/h5-7,9-10H,2-4H2,1H3
InChIKeyHOGCTDKTRNPHLB-UHFFFAOYSA-N
MW158.20 g/mol
LogP0.08
Rot. Bonds3

About ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol

ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol (PubChem CID 137384260) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol.

Molecular Properties

Compound Nameethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol
PubChem CID137384260
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Nameethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol
SMILESCCOC(O)C1CCC=NN1
InChIInChI=1S/C7H14N2O2/c1-2-11-7(10)6-4-3-5-8-9-6/h5-7,9-10H,2-4H2,1H3
InChIKeyHOGCTDKTRNPHLB-UHFFFAOYSA-N
XLogP0.08
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

aziridin-2-yl(ethoxy)methanol
CID 163643755
ethoxy-[(3R)-piperidin-3-yl]methanol
CID 143093880
ethyl 3,4-dihydro-2H-pyrrole-2-carboxylate
CID 72965039
(1R,4S)-3-[ethoxy(hydroxy)methyl]bicyclo[2.2.2]oct-5-ene-2-carboxylic acid
CID 134526927
ethoxy-(1-methylpiperidin-3-yl)methanol
CID 90952315
1-[4-[ethoxy(hydroxy)methyl]cyclohexyl]propan-2-one
CID 163849050
[1-(2,2-dimethylpropyl)piperidin-3-yl]-ethoxymethanol
CID 71094295
2-ethoxypropylcyclohexane
CID 57126788
1-(3-chlorothiophen-2-yl)-2-cyclopropyl-2-ethoxyethanol
CID 107359630
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
CID 116756591
1-[2-[cyclopropyl(ethoxy)methyl]-1,3-thiazol-4-yl]ethanol
CID 116728252
1-cycloheptyl-2-ethoxypropan-1-ol
CID 82931092

Frequently Asked Questions

What is the IUPAC name of ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol?
The IUPAC name of ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol (CID 137384260) is ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol.
What is the SMILES notation for ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol?
The canonical SMILES for ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol is CCOC(O)C1CCC=NN1.
What is the InChIKey of ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol?
The InChIKey is HOGCTDKTRNPHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-2-11-7(10)6-4-3-5-8-9-6/h5-7,9-10H,2-4H2,1H3.
What are the key properties of ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol?
ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol has a molecular weight of 158.20 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy(1,4,5,6-tetrahydropyridazin-6-yl)methanol is sourced from PubChem (CID 137384260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).