6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine

C12H8N8O — CID 56793666

IUPAC6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine
SMILESc1cc(Oc2ccc3nnnn3n2)cc(-n2cncn2)c1
InChIInChI=1S/C12H8N8O/c1-2-9(19-8-13-7-14-19)6-10(3-1)21-12-5-4-11-15-17-18-20(11)16-12/h1-8H
InChIKeyZHZBLUMPWLJEMF-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.89
Rot. Bonds3

About 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine

6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine (PubChem CID 56793666) has the molecular formula C12H8N8O and a molecular weight of 280.25 g/mol. Its IUPAC name is 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine
PubChem CID56793666
Molecular FormulaC12H8N8O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine
SMILESc1cc(Oc2ccc3nnnn3n2)cc(-n2cncn2)c1
InChIInChI=1S/C12H8N8O/c1-2-9(19-8-13-7-14-19)6-10(3-1)21-12-5-4-11-15-17-18-20(11)16-12/h1-8H
InChIKeyZHZBLUMPWLJEMF-UHFFFAOYSA-N
XLogP0.89
TPSA95.91 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine (CID 56793666) is 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine is c1cc(Oc2ccc3nnnn3n2)cc(-n2cncn2)c1.
What is the InChIKey of 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine?
The InChIKey is ZHZBLUMPWLJEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N8O/c1-2-9(19-8-13-7-14-19)6-10(3-1)21-12-5-4-11-15-17-18-20(11)16-12/h1-8H.
What are the key properties of 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine?
6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine has a molecular weight of 280.25 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1,2,4-triazol-1-yl)phenoxy]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 56793666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).