3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

C18H13ClN4O2 — CID 89479958

IUPAC3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccccc1-c1cccc(Oc2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C18H13ClN4O2/c1-24-15-8-3-2-7-14(15)12-5-4-6-13(11-12)25-17-10-9-16-20-21-18(19)23(16)22-17/h2-11H,1H3
InChIKeyNTHUVGHJFIEELQ-UHFFFAOYSA-N
MW352.78 g/mol
LogP4.25
Rot. Bonds4

About 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine

3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 89479958) has the molecular formula C18H13ClN4O2 and a molecular weight of 352.78 g/mol. Its IUPAC name is 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID89479958
Molecular FormulaC18H13ClN4O2
Molecular Weight352.78 g/mol
Exact Mass352.07
IUPAC Name3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccccc1-c1cccc(Oc2ccc3nnc(Cl)n3n2)c1
InChIInChI=1S/C18H13ClN4O2/c1-24-15-8-3-2-7-14(15)12-5-4-6-13(11-12)25-17-10-9-16-20-21-18(19)23(16)22-17/h2-11H,1H3
InChIKeyNTHUVGHJFIEELQ-UHFFFAOYSA-N
XLogP4.25
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.78
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine (CID 89479958) is 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccccc1-c1cccc(Oc2ccc3nnc(Cl)n3n2)c1.
What is the InChIKey of 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is NTHUVGHJFIEELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN4O2/c1-24-15-8-3-2-7-14(15)12-5-4-6-13(11-12)25-17-10-9-16-20-21-18(19)23(16)22-17/h2-11H,1H3.
What are the key properties of 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine?
3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 352.78 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(2-methoxyphenyl)phenoxy]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 89479958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).