3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C13H14F2N6S — CID 75429810

IUPAC3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(Nc1ccc2nnc(C(F)F)n2n1)c1ncc(C)s1
InChIInChI=1S/C13H14F2N6S/c1-3-8(13-16-6-7(2)22-13)17-9-4-5-10-18-19-12(11(14)15)21(10)20-9/h4-6,8,11H,3H2,1-2H3,(H,17,20)
InChIKeyZAHPKORLZJXHNI-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.39
Rot. Bonds5

About 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 75429810) has the molecular formula C13H14F2N6S and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID75429810
Molecular FormulaC13H14F2N6S
Molecular Weight324.36 g/mol
Exact Mass324.10
IUPAC Name3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCCC(Nc1ccc2nnc(C(F)F)n2n1)c1ncc(C)s1
InChIInChI=1S/C13H14F2N6S/c1-3-8(13-16-6-7(2)22-13)17-9-4-5-10-18-19-12(11(14)15)21(10)20-9/h4-6,8,11H,3H2,1-2H3,(H,17,20)
InChIKeyZAHPKORLZJXHNI-UHFFFAOYSA-N
XLogP3.39
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 75429810) is 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CCC(Nc1ccc2nnc(C(F)F)n2n1)c1ncc(C)s1.
What is the InChIKey of 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ZAHPKORLZJXHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N6S/c1-3-8(13-16-6-7(2)22-13)17-9-4-5-10-18-19-12(11(14)15)21(10)20-9/h4-6,8,11H,3H2,1-2H3,(H,17,20).
What are the key properties of 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 324.36 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-[1-(5-methyl-1,3-thiazol-2-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 75429810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).