2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol

C11H15Cl2N3O — CID 102633855

IUPAC2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(Cl)nnc1Cl)C1CCCCC1O
InChIInChI=1S/C11H15Cl2N3O/c1-16(7-4-2-3-5-9(7)17)8-6-10(12)14-15-11(8)13/h6-7,9,17H,2-5H2,1H3
InChIKeyYXNKGKZYCQSYMA-UHFFFAOYSA-N
MW276.17 g/mol
LogP2.52
Rot. Bonds2

About 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol

2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol (PubChem CID 102633855) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
PubChem CID102633855
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol
SMILESCN(c1cc(Cl)nnc1Cl)C1CCCCC1O
InChIInChI=1S/C11H15Cl2N3O/c1-16(7-4-2-3-5-9(7)17)8-6-10(12)14-15-11(8)13/h6-7,9,17H,2-5H2,1H3
InChIKeyYXNKGKZYCQSYMA-UHFFFAOYSA-N
XLogP2.52
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-chloro-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102824414
2-[(4-chlorophthalazin-1-yl)-methylamino]cyclohexan-1-ol
CID 102633750
3-chloro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632381
3-chloro-4-[(2-hydroxycyclohexyl)-methylamino]benzaldehyde
CID 102632644
N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]-2,6-dimethylpyridine-3-carboximidamide
CID 102632392
2-[cyclobutyl-(3,6-dichloropyridazin-4-yl)amino]ethanol
CID 102865921
2-[(2-amino-4-pyridinyl)-methylamino]cyclohexan-1-ol
CID 102640081
2-[(7-aminoquinolin-4-yl)-methylamino]cyclohexan-1-ol
CID 103001945
3-fluoro-N'-hydroxy-4-[(2-hydroxycyclohexyl)-methylamino]benzenecarboximidamide
CID 102632369
2-[cinnolin-4-yl(methyl)amino]cyclohexan-1-ol
CID 102635880
2-[2-(aminomethyl)-5-bromo-N-methylanilino]cyclohexan-1-ol
CID 102631472
6-chloro-2-[(2-hydroxycyclohexyl)-methylamino]pyridine-3-carboxylic acid
CID 102632530

Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol (CID 102633855) is 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol is CN(c1cc(Cl)nnc1Cl)C1CCCCC1O.
What is the InChIKey of 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol?
The InChIKey is YXNKGKZYCQSYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-16(7-4-2-3-5-9(7)17)8-6-10(12)14-15-11(8)13/h6-7,9,17H,2-5H2,1H3.
What are the key properties of 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol?
2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol has a molecular weight of 276.17 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dichloropyridazin-4-yl)-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102633855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).