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

C12H19N3O3 — CID 114952374

IUPAC4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ccc(CO)nn1
InChIInChI=1S/C12H19N3O3/c1-15(9-12(17)4-6-18-7-5-12)11-3-2-10(8-16)13-14-11/h2-3,16-17H,4-9H2,1H3
InChIKeyYXAPEYKUNCZZTM-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.05
Rot. Bonds4

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

4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol (PubChem CID 114952374) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
PubChem CID114952374
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol
SMILESCN(CC1(O)CCOCC1)c1ccc(CO)nn1
InChIInChI=1S/C12H19N3O3/c1-15(9-12(17)4-6-18-7-5-12)11-3-2-10(8-16)13-14-11/h2-3,16-17H,4-9H2,1H3
InChIKeyYXAPEYKUNCZZTM-UHFFFAOYSA-N
XLogP-0.05
TPSA78.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(4-hydroxyoxan-4-yl)methyl-methylamino]pyridine-3-carbothioamide
CID 114949466
4-[[methyl(pyridin-4-yl)amino]methyl]oxan-4-ol
CID 114952312
4-[[(6-chloropyridazin-3-yl)methyl-methylamino]methyl]oxan-4-ol
CID 114948809
4-[[(5-amino-4-methyl-2-pyridinyl)-methylamino]methyl]oxan-4-ol
CID 114947689
4-[[(6-bromopyrimidin-4-yl)-methylamino]methyl]oxan-4-ol
CID 114951092
4-[[methyl-[5-(propylaminomethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 114950653
4-[[4-[(1S)-1-hydroxyethyl]-N-methylanilino]methyl]oxan-4-ol
CID 104985502
[6-[methyl(2-pyrrolidin-1-ylethyl)amino]pyridazin-3-yl]methanol
CID 63207359
4-[[ethyl(methyl)amino]methyl]oxan-4-ol
CID 115749552
4-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 106768477
4-[[[6-chloro-5-(hydroxymethyl)pyrimidin-4-yl]-methylamino]methyl]oxan-4-ol
CID 114950333
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 114949903

Frequently Asked Questions

What is the IUPAC name of 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol (CID 114952374) is 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol is CN(CC1(O)CCOCC1)c1ccc(CO)nn1.
What is the InChIKey of 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol?
The InChIKey is YXAPEYKUNCZZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15(9-12(17)4-6-18-7-5-12)11-3-2-10(8-16)13-14-11/h2-3,16-17H,4-9H2,1H3.
What are the key properties of 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol?
4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol has a molecular weight of 253.30 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[6-(hydroxymethyl)pyridazin-3-yl]-methylamino]methyl]oxan-4-ol is sourced from PubChem (CID 114952374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).