1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol

C11H14N2O — CID 105082424

IUPAC1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1cc(C)nnc1C
InChIInChI=1S/C11H14N2O/c1-4-5-6-11(14)10-7-8(2)12-13-9(10)3/h7,11,14H,6H2,1-3H3
InChIKeyNHWHKRQDLIHUJW-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.54
Rot. Bonds2

About 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol

1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol (PubChem CID 105082424) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol.

Molecular Properties

Compound Name1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol
PubChem CID105082424
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol
SMILESCC#CCC(O)c1cc(C)nnc1C
InChIInChI=1S/C11H14N2O/c1-4-5-6-11(14)10-7-8(2)12-13-9(10)3/h7,11,14H,6H2,1-3H3
InChIKeyNHWHKRQDLIHUJW-UHFFFAOYSA-N
XLogP1.54
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 11491963
1-(3,6-dimethylpyridazin-4-yl)-2-(4-ethylphenyl)ethanol
CID 105080205
1-(3,6-dimethylpyridazin-4-yl)-2-ethylbutan-1-ol
CID 105114625
2-(2,6-difluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105133084
1-(3,6-dimethylpyridazin-4-yl)-2-thiophen-3-ylethanol
CID 105089473
1-(4-chloro-2,5-difluorophenyl)pent-3-yn-1-ol
CID 115780031
1-(2,5-difluorophenyl)pent-3-yn-1-ol
CID 63673084
2-(3-chloro-4-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 103043689
2-(5-chloro-1,3-dimethylpyrazol-4-yl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 105125344
1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105082248
2-(2-chloro-5-fluorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanol
CID 102623179
1-(3,6-dimethylpyridazin-4-yl)propylhydrazine
CID 105281942

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol?
The IUPAC name of 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol (CID 105082424) is 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol.
What is the SMILES notation for 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol?
The canonical SMILES for 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol is CC#CCC(O)c1cc(C)nnc1C.
What is the InChIKey of 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol?
The InChIKey is NHWHKRQDLIHUJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-5-6-11(14)10-7-8(2)12-13-9(10)3/h7,11,14H,6H2,1-3H3.
What are the key properties of 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol?
1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyridazin-4-yl)pent-3-yn-1-ol is sourced from PubChem (CID 105082424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).