3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol

C9H13N3O — CID 126991879

IUPAC3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol
SMILESCN(c1cccnn1)C1CC(O)C1
InChIInChI=1S/C9H13N3O/c1-12(7-5-8(13)6-7)9-3-2-4-10-11-9/h2-4,7-8,13H,5-6H2,1H3
InChIKeyAPINDSPLSFBKOF-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.44
Rot. Bonds2

About 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol

3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol (PubChem CID 126991879) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol
PubChem CID126991879
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol
SMILESCN(c1cccnn1)C1CC(O)C1
InChIInChI=1S/C9H13N3O/c1-12(7-5-8(13)6-7)9-3-2-4-10-11-9/h2-4,7-8,13H,5-6H2,1H3
InChIKeyAPINDSPLSFBKOF-UHFFFAOYSA-N
XLogP0.44
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(pyridazin-3-yl)amino]cyclohexan-1-ol
CID 102636109
N-methyl-N-[1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidin-4-yl]pyridazin-3-amine
CID 133372358
1-(4-fluorophenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 111105247
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]methanone
CID 95324469
[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 86893698
N-ethyl-N-methylpyridazin-3-amine
CID 90701393
1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 56780017
N-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylpyridazin-3-amine
CID 133460399
1-(4-fluoro-2-methylphenyl)-2-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]ethanol
CID 111565070
(2R)-3-methyl-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95342467
(2S)-3-methyl-1-[4-[methyl(pyridazin-3-yl)amino]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)butan-1-one
CID 95342466
N-[1-[[2-(dimethylamino)-3-methylimidazol-4-yl]methyl]piperidin-4-yl]-N-methylpyridazin-3-amine
CID 136548916

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol (CID 126991879) is 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol is CN(c1cccnn1)C1CC(O)C1.
What is the InChIKey of 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol?
The InChIKey is APINDSPLSFBKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-12(7-5-8(13)6-7)9-3-2-4-10-11-9/h2-4,7-8,13H,5-6H2,1H3.
What are the key properties of 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol?
3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol has a molecular weight of 179.22 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(pyridazin-3-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 126991879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).