N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C16H18FN5O — CID 71978654

IUPACN-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(CNc1ccc2nnc(C)n2n1)Oc1ccccc1F
InChIInChI=1S/C16H18FN5O/c1-3-12(23-14-7-5-4-6-13(14)17)10-18-15-8-9-16-20-19-11(2)22(16)21-15/h4-9,12H,3,10H2,1-2H3,(H,18,21)
InChIKeyHCORLCBCZHTSJM-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.84
Rot. Bonds6

About N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 71978654) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID71978654
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC NameN-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(CNc1ccc2nnc(C)n2n1)Oc1ccccc1F
InChIInChI=1S/C16H18FN5O/c1-3-12(23-14-7-5-4-6-13(14)17)10-18-15-8-9-16-20-19-11(2)22(16)21-15/h4-9,12H,3,10H2,1-2H3,(H,18,21)
InChIKeyHCORLCBCZHTSJM-UHFFFAOYSA-N
XLogP2.84
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 71978654) is N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCC(CNc1ccc2nnc(C)n2n1)Oc1ccccc1F.
What is the InChIKey of N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is HCORLCBCZHTSJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-3-12(23-14-7-5-4-6-13(14)17)10-18-15-8-9-16-20-19-11(2)22(16)21-15/h4-9,12H,3,10H2,1-2H3,(H,18,21).
What are the key properties of N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 315.35 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)butyl]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 71978654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).