6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine

C13H13N5O2 — CID 17483533

IUPAC6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine
SMILESCOCCc1ccc(Oc2ccc3nnnn3n2)cc1
InChIInChI=1S/C13H13N5O2/c1-19-9-8-10-2-4-11(5-3-10)20-13-7-6-12-14-16-17-18(12)15-13/h2-7H,8-9H2,1H3
InChIKeyJHYIKAXECFRUDO-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.50
Rot. Bonds5

About 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine

6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine (PubChem CID 17483533) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine
PubChem CID17483533
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine
SMILESCOCCc1ccc(Oc2ccc3nnnn3n2)cc1
InChIInChI=1S/C13H13N5O2/c1-19-9-8-10-2-4-11(5-3-10)20-13-7-6-12-14-16-17-18(12)15-13/h2-7H,8-9H2,1H3
InChIKeyJHYIKAXECFRUDO-UHFFFAOYSA-N
XLogP1.50
TPSA74.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine (CID 17483533) is 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine is COCCc1ccc(Oc2ccc3nnnn3n2)cc1.
What is the InChIKey of 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
The InChIKey is JHYIKAXECFRUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-19-9-8-10-2-4-11(5-3-10)20-13-7-6-12-14-16-17-18(12)15-13/h2-7H,8-9H2,1H3.
What are the key properties of 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine?
6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine has a molecular weight of 271.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethyl)phenoxy]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 17483533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).