6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C15H14F2N6O — CID 136577684

IUPAC6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESFc1ccc(OC2CCN(c3ccc4nnnn4n3)CC2)c(F)c1
InChIInChI=1S/C15H14F2N6O/c16-10-1-2-13(12(17)9-10)24-11-5-7-22(8-6-11)15-4-3-14-18-20-21-23(14)19-15/h1-4,9,11H,5-8H2
InChIKeyBDXJTYHVASMFEF-UHFFFAOYSA-N
MW332.31 g/mol
LogP1.85
Rot. Bonds3

About 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 136577684) has the molecular formula C15H14F2N6O and a molecular weight of 332.31 g/mol. Its IUPAC name is 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID136577684
Molecular FormulaC15H14F2N6O
Molecular Weight332.31 g/mol
Exact Mass332.12
IUPAC Name6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESFc1ccc(OC2CCN(c3ccc4nnnn4n3)CC2)c(F)c1
InChIInChI=1S/C15H14F2N6O/c16-10-1-2-13(12(17)9-10)24-11-5-7-22(8-6-11)15-4-3-14-18-20-21-23(14)19-15/h1-4,9,11H,5-8H2
InChIKeyBDXJTYHVASMFEF-UHFFFAOYSA-N
XLogP1.85
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 136577684) is 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is Fc1ccc(OC2CCN(c3ccc4nnnn4n3)CC2)c(F)c1.
What is the InChIKey of 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is BDXJTYHVASMFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N6O/c16-10-1-2-13(12(17)9-10)24-11-5-7-22(8-6-11)15-4-3-14-18-20-21-23(14)19-15/h1-4,9,11H,5-8H2.
What are the key properties of 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 332.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2,4-difluorophenoxy)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 136577684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).