N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide

C14H17F3N6O2S — CID 75476008

IUPACN-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C14H17F3N6O2S/c15-14(16,17)13-19-18-11-5-6-12(20-23(11)13)22-7-10(8-22)26(24,25)21-9-3-1-2-4-9/h5-6,9-10,21H,1-4,7-8H2
InChIKeyFAJWTMROMOSPGR-UHFFFAOYSA-N
MW390.39 g/mol
LogP1.19
Rot. Bonds4

About N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide

N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide (PubChem CID 75476008) has the molecular formula C14H17F3N6O2S and a molecular weight of 390.39 g/mol. Its IUPAC name is N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide
PubChem CID75476008
Molecular FormulaC14H17F3N6O2S
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC NameN-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide
SMILESO=S(=O)(NC1CCCC1)C1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1
InChIInChI=1S/C14H17F3N6O2S/c15-14(16,17)13-19-18-11-5-6-12(20-23(11)13)22-7-10(8-22)26(24,25)21-9-3-1-2-4-9/h5-6,9-10,21H,1-4,7-8H2
InChIKeyFAJWTMROMOSPGR-UHFFFAOYSA-N
XLogP1.19
TPSA92.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide?
The IUPAC name of N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide (CID 75476008) is N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide.
What is the SMILES notation for N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide?
The canonical SMILES for N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide is O=S(=O)(NC1CCCC1)C1CN(c2ccc3nnc(C(F)(F)F)n3n2)C1.
What is the InChIKey of N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide?
The InChIKey is FAJWTMROMOSPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N6O2S/c15-14(16,17)13-19-18-11-5-6-12(20-23(11)13)22-7-10(8-22)26(24,25)21-9-3-1-2-4-9/h5-6,9-10,21H,1-4,7-8H2.
What are the key properties of N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide?
N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide has a molecular weight of 390.39 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]azetidine-3-sulfonamide is sourced from PubChem (CID 75476008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).