6-(oxan-2-ylmethyl)pyridazine-3,4-diamine

C10H16N4O — CID 117106089

IUPAC6-(oxan-2-ylmethyl)pyridazine-3,4-diamine
SMILESNc1cc(CC2CCCCO2)nnc1N
InChIInChI=1S/C10H16N4O/c11-9-6-7(13-14-10(9)12)5-8-3-1-2-4-15-8/h6,8H,1-5H2,(H2,11,13)(H2,12,14)
InChIKeyOYVZIUDDEGLAQJ-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.75
Rot. Bonds2

About 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine

6-(oxan-2-ylmethyl)pyridazine-3,4-diamine (PubChem CID 117106089) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine.

Molecular Properties

Compound Name6-(oxan-2-ylmethyl)pyridazine-3,4-diamine
PubChem CID117106089
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name6-(oxan-2-ylmethyl)pyridazine-3,4-diamine
SMILESNc1cc(CC2CCCCO2)nnc1N
InChIInChI=1S/C10H16N4O/c11-9-6-7(13-14-10(9)12)5-8-3-1-2-4-15-8/h6,8H,1-5H2,(H2,11,13)(H2,12,14)
InChIKeyOYVZIUDDEGLAQJ-UHFFFAOYSA-N
XLogP0.75
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine?
The IUPAC name of 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine (CID 117106089) is 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine.
What is the SMILES notation for 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine?
The canonical SMILES for 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine is Nc1cc(CC2CCCCO2)nnc1N.
What is the InChIKey of 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine?
The InChIKey is OYVZIUDDEGLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c11-9-6-7(13-14-10(9)12)5-8-3-1-2-4-15-8/h6,8H,1-5H2,(H2,11,13)(H2,12,14).
What are the key properties of 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine?
6-(oxan-2-ylmethyl)pyridazine-3,4-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxan-2-ylmethyl)pyridazine-3,4-diamine is sourced from PubChem (CID 117106089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).