3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H15F2N5 — CID 133430439

IUPAC3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)c1nnc2ccc(NC3C4C5CCC(C5)C34)nn12
InChIInChI=1S/C14H15F2N5/c15-13(16)14-19-18-9-4-3-8(20-21(9)14)17-12-10-6-1-2-7(5-6)11(10)12/h3-4,6-7,10-13H,1-2,5H2,(H,17,20)
InChIKeyVONOWAUVASCSJG-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.52
Rot. Bonds3

About 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133430439) has the molecular formula C14H15F2N5 and a molecular weight of 291.31 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133430439
Molecular FormulaC14H15F2N5
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)c1nnc2ccc(NC3C4C5CCC(C5)C34)nn12
InChIInChI=1S/C14H15F2N5/c15-13(16)14-19-18-9-4-3-8(20-21(9)14)17-12-10-6-1-2-7(5-6)11(10)12/h3-4,6-7,10-13H,1-2,5H2,(H,17,20)
InChIKeyVONOWAUVASCSJG-UHFFFAOYSA-N
XLogP2.52
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133430439) is 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)c1nnc2ccc(NC3C4C5CCC(C5)C34)nn12.
What is the InChIKey of 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is VONOWAUVASCSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N5/c15-13(16)14-19-18-9-4-3-8(20-21(9)14)17-12-10-6-1-2-7(5-6)11(10)12/h3-4,6-7,10-13H,1-2,5H2,(H,17,20).
What are the key properties of 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 291.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-(3-tricyclo[3.2.1.02,4]octanyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133430439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).