4-chloro-6-(oxolan-2-yl)pyridazin-3-amine

C8H10ClN3O — CID 117105683

IUPAC4-chloro-6-(oxolan-2-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCCO2)cc1Cl
InChIInChI=1S/C8H10ClN3O/c9-5-4-6(11-12-8(5)10)7-2-1-3-13-7/h4,7H,1-3H2,(H2,10,12)
InChIKeyYRZOKGFEKPULRK-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.56
Rot. Bonds1

About 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine

4-chloro-6-(oxolan-2-yl)pyridazin-3-amine (PubChem CID 117105683) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine.

Molecular Properties

Compound Name4-chloro-6-(oxolan-2-yl)pyridazin-3-amine
PubChem CID117105683
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name4-chloro-6-(oxolan-2-yl)pyridazin-3-amine
SMILESNc1nnc(C2CCCO2)cc1Cl
InChIInChI=1S/C8H10ClN3O/c9-5-4-6(11-12-8(5)10)7-2-1-3-13-7/h4,7H,1-3H2,(H2,10,12)
InChIKeyYRZOKGFEKPULRK-UHFFFAOYSA-N
XLogP1.56
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine?
The IUPAC name of 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine (CID 117105683) is 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine.
What is the SMILES notation for 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine?
The canonical SMILES for 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine is Nc1nnc(C2CCCO2)cc1Cl.
What is the InChIKey of 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine?
The InChIKey is YRZOKGFEKPULRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-5-4-6(11-12-8(5)10)7-2-1-3-13-7/h4,7H,1-3H2,(H2,10,12).
What are the key properties of 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine?
4-chloro-6-(oxolan-2-yl)pyridazin-3-amine has a molecular weight of 199.64 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(oxolan-2-yl)pyridazin-3-amine is sourced from PubChem (CID 117105683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).