6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine

C11H8FN5O — CID 133376780

IUPAC6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine
SMILESCc1cc(Oc2ccc3nnnn3n2)ccc1F
InChIInChI=1S/C11H8FN5O/c1-7-6-8(2-3-9(7)12)18-11-5-4-10-13-15-16-17(10)14-11/h2-6H,1H3
InChIKeyNEVCCQPMNCMPHJ-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.76
Rot. Bonds2

About 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine

6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine (PubChem CID 133376780) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine
PubChem CID133376780
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine
SMILESCc1cc(Oc2ccc3nnnn3n2)ccc1F
InChIInChI=1S/C11H8FN5O/c1-7-6-8(2-3-9(7)12)18-11-5-4-10-13-15-16-17(10)14-11/h2-6H,1H3
InChIKeyNEVCCQPMNCMPHJ-UHFFFAOYSA-N
XLogP1.76
TPSA65.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine (CID 133376780) is 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine is Cc1cc(Oc2ccc3nnnn3n2)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine?
The InChIKey is NEVCCQPMNCMPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c1-7-6-8(2-3-9(7)12)18-11-5-4-10-13-15-16-17(10)14-11/h2-6H,1H3.
What are the key properties of 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine?
6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine has a molecular weight of 245.22 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenoxy)tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 133376780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).