1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine

C14H15ClN4O — CID 67579571

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1=NN(CCOc2ccc(Cl)cc2)C2=CC=CNN21
InChIInChI=1S/C14H15ClN4O/c1-11-17-18(14-3-2-8-16-19(11)14)9-10-20-13-6-4-12(15)5-7-13/h2-8,16H,9-10H2,1H3
InChIKeySXBQNVZGUAQQFF-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.54
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine

1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 67579571) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID67579571
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1=NN(CCOc2ccc(Cl)cc2)C2=CC=CNN21
InChIInChI=1S/C14H15ClN4O/c1-11-17-18(14-3-2-8-16-19(11)14)9-10-20-13-6-4-12(15)5-7-13/h2-8,16H,9-10H2,1H3
InChIKeySXBQNVZGUAQQFF-UHFFFAOYSA-N
XLogP2.54
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine (CID 67579571) is 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine is CC1=NN(CCOc2ccc(Cl)cc2)C2=CC=CNN21.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is SXBQNVZGUAQQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-11-17-18(14-3-2-8-16-19(11)14)9-10-20-13-6-4-12(15)5-7-13/h2-8,16H,9-10H2,1H3.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine?
1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 290.75 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 67579571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).