N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C14H17F3N6 — CID 26043543

IUPACN-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC3CCN(C4CC4)CC3)nn12
InChIInChI=1S/C14H17F3N6/c15-14(16,17)13-20-19-12-4-3-11(21-23(12)13)18-9-5-7-22(8-6-9)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,21)
InChIKeyRQSNDWMVANTMPM-UHFFFAOYSA-N
MW326.33 g/mol
LogP2.18
Rot. Bonds3

About N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 26043543) has the molecular formula C14H17F3N6 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID26043543
Molecular FormulaC14H17F3N6
Molecular Weight326.33 g/mol
Exact Mass326.15
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESFC(F)(F)c1nnc2ccc(NC3CCN(C4CC4)CC3)nn12
InChIInChI=1S/C14H17F3N6/c15-14(16,17)13-20-19-12-4-3-11(21-23(12)13)18-9-5-7-22(8-6-9)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,21)
InChIKeyRQSNDWMVANTMPM-UHFFFAOYSA-N
XLogP2.18
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 26043543) is N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is FC(F)(F)c1nnc2ccc(NC3CCN(C4CC4)CC3)nn12.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is RQSNDWMVANTMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6/c15-14(16,17)13-20-19-12-4-3-11(21-23(12)13)18-9-5-7-22(8-6-9)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,21).
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 326.33 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 26043543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).