N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine

C13H13FN6O — CID 47520069

IUPACN-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(COc1ccc(F)cc1)Nc1ccc2nnnn2n1
InChIInChI=1S/C13H13FN6O/c1-9(8-21-11-4-2-10(14)3-5-11)15-12-6-7-13-16-18-19-20(13)17-12/h2-7,9H,8H2,1H3,(H,15,17)
InChIKeyVGDPBGSXUPQIHR-UHFFFAOYSA-N
MW288.29 g/mol
LogP1.54
Rot. Bonds5

About N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine

N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 47520069) has the molecular formula C13H13FN6O and a molecular weight of 288.29 g/mol. Its IUPAC name is N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID47520069
Molecular FormulaC13H13FN6O
Molecular Weight288.29 g/mol
Exact Mass288.11
IUPAC NameN-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCC(COc1ccc(F)cc1)Nc1ccc2nnnn2n1
InChIInChI=1S/C13H13FN6O/c1-9(8-21-11-4-2-10(14)3-5-11)15-12-6-7-13-16-18-19-20(13)17-12/h2-7,9H,8H2,1H3,(H,15,17)
InChIKeyVGDPBGSXUPQIHR-UHFFFAOYSA-N
XLogP1.54
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine (CID 47520069) is N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine is CC(COc1ccc(F)cc1)Nc1ccc2nnnn2n1.
What is the InChIKey of N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is VGDPBGSXUPQIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN6O/c1-9(8-21-11-4-2-10(14)3-5-11)15-12-6-7-13-16-18-19-20(13)17-12/h2-7,9H,8H2,1H3,(H,15,17).
What are the key properties of N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 288.29 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenoxy)propan-2-yl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 47520069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).