4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol

C12H18ClN3O2 — CID 114948809

IUPAC4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1ccc(Cl)nn1)CC1(O)CCOCC1
InChIInChI=1S/C12H18ClN3O2/c1-16(8-10-2-3-11(13)15-14-10)9-12(17)4-6-18-7-5-12/h2-3,17H,4-9H2,1H3
InChIKeyAIHDKQPJNVWTRZ-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.10
Rot. Bonds4

About 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol

4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol (PubChem CID 114948809) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
PubChem CID114948809
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
SMILESCN(Cc1ccc(Cl)nn1)CC1(O)CCOCC1
InChIInChI=1S/C12H18ClN3O2/c1-16(8-10-2-3-11(13)15-14-10)9-12(17)4-6-18-7-5-12/h2-3,17H,4-9H2,1H3
InChIKeyAIHDKQPJNVWTRZ-UHFFFAOYSA-N
XLogP1.10
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol with MolForge

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Related Compounds

1-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 114948795
4-[[(6-chloro-2-pyridinyl)methyl-methylamino]methyl]oxan-4-ol
CID 114948813
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
4-[[methyl(pyridin-4-ylmethyl)amino]methyl]oxan-4-ol
CID 113269052
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
CID 114952374
4-[[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114952785
4-[[(4-ethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746894
4-[[(3,4-difluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115746943
4-[[(3,4-dimethylphenyl)methyl-methylamino]methyl]oxan-4-ol
CID 114952780
4-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]oxan-4-ol
CID 115746934
4-[[methyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]methyl]oxan-4-ol
CID 114952911
4-[[(5-bromo-2-fluorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 115749285

Frequently Asked Questions

What is the IUPAC name of 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol (CID 114948809) is 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol is CN(Cc1ccc(Cl)nn1)CC1(O)CCOCC1.
What is the InChIKey of 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol?
The InChIKey is AIHDKQPJNVWTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-16(8-10-2-3-11(13)15-14-10)9-12(17)4-6-18-7-5-12/h2-3,17H,4-9H2,1H3.
What are the key properties of 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol?
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol has a molecular weight of 271.75 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114948809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).