3-N-(oxan-4-yl)pyridazine-3,5-diamine

C9H14N4O — CID 139437730

IUPAC3-N-(oxan-4-yl)pyridazine-3,5-diamine
SMILESNc1cnnc(NC2CCOCC2)c1
InChIInChI=1S/C9H14N4O/c10-7-5-9(13-11-6-7)12-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H3,10,12,13)
InChIKeyFTADQZOYCSDEMO-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.65
Rot. Bonds2

About 3-N-(oxan-4-yl)pyridazine-3,5-diamine

3-N-(oxan-4-yl)pyridazine-3,5-diamine (PubChem CID 139437730) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-N-(oxan-4-yl)pyridazine-3,5-diamine.

Molecular Properties

Compound Name3-N-(oxan-4-yl)pyridazine-3,5-diamine
PubChem CID139437730
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-N-(oxan-4-yl)pyridazine-3,5-diamine
SMILESNc1cnnc(NC2CCOCC2)c1
InChIInChI=1S/C9H14N4O/c10-7-5-9(13-11-6-7)12-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H3,10,12,13)
InChIKeyFTADQZOYCSDEMO-UHFFFAOYSA-N
XLogP0.65
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(oxan-4-yl)pyridazine-3,5-diamine?
The IUPAC name of 3-N-(oxan-4-yl)pyridazine-3,5-diamine (CID 139437730) is 3-N-(oxan-4-yl)pyridazine-3,5-diamine.
What is the SMILES notation for 3-N-(oxan-4-yl)pyridazine-3,5-diamine?
The canonical SMILES for 3-N-(oxan-4-yl)pyridazine-3,5-diamine is Nc1cnnc(NC2CCOCC2)c1.
What is the InChIKey of 3-N-(oxan-4-yl)pyridazine-3,5-diamine?
The InChIKey is FTADQZOYCSDEMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c10-7-5-9(13-11-6-7)12-8-1-3-14-4-2-8/h5-6,8H,1-4H2,(H3,10,12,13).
What are the key properties of 3-N-(oxan-4-yl)pyridazine-3,5-diamine?
3-N-(oxan-4-yl)pyridazine-3,5-diamine has a molecular weight of 194.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxan-4-yl)pyridazine-3,5-diamine is sourced from PubChem (CID 139437730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).