3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C17H13FN6 — CID 134806308

IUPAC3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(c1ccccc1)c1ccc2nnc(-c3ccc(F)cn3)n2n1
InChIInChI=1S/C17H13FN6/c1-23(13-5-3-2-4-6-13)16-10-9-15-20-21-17(24(15)22-16)14-8-7-12(18)11-19-14/h2-11H,1H3
InChIKeyZAJFNHMAZQJAMB-UHFFFAOYSA-N
MW320.33 g/mol
LogP3.09
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134806308) has the molecular formula C17H13FN6 and a molecular weight of 320.33 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134806308
Molecular FormulaC17H13FN6
Molecular Weight320.33 g/mol
Exact Mass320.12
IUPAC Name3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCN(c1ccccc1)c1ccc2nnc(-c3ccc(F)cn3)n2n1
InChIInChI=1S/C17H13FN6/c1-23(13-5-3-2-4-6-13)16-10-9-15-20-21-17(24(15)22-16)14-8-7-12(18)11-19-14/h2-11H,1H3
InChIKeyZAJFNHMAZQJAMB-UHFFFAOYSA-N
XLogP3.09
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134806308) is 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CN(c1ccccc1)c1ccc2nnc(-c3ccc(F)cn3)n2n1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZAJFNHMAZQJAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6/c1-23(13-5-3-2-4-6-13)16-10-9-15-20-21-17(24(15)22-16)14-8-7-12(18)11-19-14/h2-11H,1H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 320.33 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-N-methyl-N-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134806308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).