6-chloro-N-(oxan-4-yl)pyridazin-3-amine

C9H12ClN3O — CID 43610418

IUPAC6-chloro-N-(oxan-4-yl)pyridazin-3-amine
SMILESClc1ccc(NC2CCOCC2)nn1
InChIInChI=1S/C9H12ClN3O/c10-8-1-2-9(13-12-8)11-7-3-5-14-6-4-7/h1-2,7H,3-6H2,(H,11,13)
InChIKeyONVLCUVHKJXUGL-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.72
Rot. Bonds2

About 6-chloro-N-(oxan-4-yl)pyridazin-3-amine

6-chloro-N-(oxan-4-yl)pyridazin-3-amine (PubChem CID 43610418) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 6-chloro-N-(oxan-4-yl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(oxan-4-yl)pyridazin-3-amine
PubChem CID43610418
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name6-chloro-N-(oxan-4-yl)pyridazin-3-amine
SMILESClc1ccc(NC2CCOCC2)nn1
InChIInChI=1S/C9H12ClN3O/c10-8-1-2-9(13-12-8)11-7-3-5-14-6-4-7/h1-2,7H,3-6H2,(H,11,13)
InChIKeyONVLCUVHKJXUGL-UHFFFAOYSA-N
XLogP1.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(oxan-4-yl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(oxan-4-yl)pyridazin-3-amine (CID 43610418) is 6-chloro-N-(oxan-4-yl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(oxan-4-yl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(oxan-4-yl)pyridazin-3-amine is Clc1ccc(NC2CCOCC2)nn1.
What is the InChIKey of 6-chloro-N-(oxan-4-yl)pyridazin-3-amine?
The InChIKey is ONVLCUVHKJXUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c10-8-1-2-9(13-12-8)11-7-3-5-14-6-4-7/h1-2,7H,3-6H2,(H,11,13).
What are the key properties of 6-chloro-N-(oxan-4-yl)pyridazin-3-amine?
6-chloro-N-(oxan-4-yl)pyridazin-3-amine has a molecular weight of 213.67 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(oxan-4-yl)pyridazin-3-amine is sourced from PubChem (CID 43610418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).