N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C13H11F3N6O — CID 31661549

IUPACN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1ccccc1OC(F)(F)F)c1ccc2nnnn2n1
InChIInChI=1S/C13H11F3N6O/c1-21(12-7-6-11-17-19-20-22(11)18-12)8-9-4-2-3-5-10(9)23-13(14,15)16/h2-7H,8H2,1H3
InChIKeyFKMBTZYITKPYJA-UHFFFAOYSA-N
MW324.27 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 31661549) has the molecular formula C13H11F3N6O and a molecular weight of 324.27 g/mol. Its IUPAC name is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID31661549
Molecular FormulaC13H11F3N6O
Molecular Weight324.27 g/mol
Exact Mass324.09
IUPAC NameN-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCN(Cc1ccccc1OC(F)(F)F)c1ccc2nnnn2n1
InChIInChI=1S/C13H11F3N6O/c1-21(12-7-6-11-17-19-20-22(11)18-12)8-9-4-2-3-5-10(9)23-13(14,15)16/h2-7H,8H2,1H3
InChIKeyFKMBTZYITKPYJA-UHFFFAOYSA-N
XLogP2.05
TPSA68.44 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 31661549) is N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is CN(Cc1ccccc1OC(F)(F)F)c1ccc2nnnn2n1.
What is the InChIKey of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is FKMBTZYITKPYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N6O/c1-21(12-7-6-11-17-19-20-22(11)18-12)8-9-4-2-3-5-10(9)23-13(14,15)16/h2-7H,8H2,1H3.
What are the key properties of N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 324.27 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 31661549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).