3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine

C16H13ClN4O — CID 70695763

IUPAC3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine
SMILESNc1cnnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C16H13ClN4O/c17-11-1-5-14(6-2-11)22-15-7-3-13(4-8-15)20-16-9-12(18)10-19-21-16/h1-10H,(H3,18,20,21)
InChIKeyFKIKEVMYUWQWDY-UHFFFAOYSA-N
MW312.76 g/mol
LogP4.25
Rot. Bonds4

About 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine

3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine (PubChem CID 70695763) has the molecular formula C16H13ClN4O and a molecular weight of 312.76 g/mol. Its IUPAC name is 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine.

Molecular Properties

Compound Name3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine
PubChem CID70695763
Molecular FormulaC16H13ClN4O
Molecular Weight312.76 g/mol
Exact Mass312.08
IUPAC Name3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine
SMILESNc1cnnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1
InChIInChI=1S/C16H13ClN4O/c17-11-1-5-14(6-2-11)22-15-7-3-13(4-8-15)20-16-9-12(18)10-19-21-16/h1-10H,(H3,18,20,21)
InChIKeyFKIKEVMYUWQWDY-UHFFFAOYSA-N
XLogP4.25
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.76
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine?
The IUPAC name of 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine (CID 70695763) is 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine.
What is the SMILES notation for 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine?
The canonical SMILES for 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine is Nc1cnnc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1.
What is the InChIKey of 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine?
The InChIKey is FKIKEVMYUWQWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4O/c17-11-1-5-14(6-2-11)22-15-7-3-13(4-8-15)20-16-9-12(18)10-19-21-16/h1-10H,(H3,18,20,21).
What are the key properties of 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine?
3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine has a molecular weight of 312.76 g/mol, XLogP of 4.25, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[4-(4-chlorophenoxy)phenyl]pyridazine-3,5-diamine is sourced from PubChem (CID 70695763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).