4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide

C14H10F3N5O2 — CID 139532932

IUPAC4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ncccc12)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H10F3N5O2/c15-9-6-8(3-4-12(9)24-14(16)17)13(23)18-7-10-11-2-1-5-19-22(11)21-20-10/h1-6,14H,7H2,(H,18,23)
InChIKeySDVKDKPITFQMQG-UHFFFAOYSA-N
MW337.26 g/mol
LogP1.79
Rot. Bonds5

About 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide

4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (PubChem CID 139532932) has the molecular formula C14H10F3N5O2 and a molecular weight of 337.26 g/mol. Its IUPAC name is 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
PubChem CID139532932
Molecular FormulaC14H10F3N5O2
Molecular Weight337.26 g/mol
Exact Mass337.08
IUPAC Name4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide
SMILESO=C(NCc1nnn2ncccc12)c1ccc(OC(F)F)c(F)c1
InChIInChI=1S/C14H10F3N5O2/c15-9-6-8(3-4-12(9)24-14(16)17)13(23)18-7-10-11-2-1-5-19-22(11)21-20-10/h1-6,14H,7H2,(H,18,23)
InChIKeySDVKDKPITFQMQG-UHFFFAOYSA-N
XLogP1.79
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The IUPAC name of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide (CID 139532932) is 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide.
What is the SMILES notation for 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The canonical SMILES for 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is O=C(NCc1nnn2ncccc12)c1ccc(OC(F)F)c(F)c1.
What is the InChIKey of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
The InChIKey is SDVKDKPITFQMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N5O2/c15-9-6-8(3-4-12(9)24-14(16)17)13(23)18-7-10-11-2-1-5-19-22(11)21-20-10/h1-6,14H,7H2,(H,18,23).
What are the key properties of 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide?
4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide has a molecular weight of 337.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-3-fluoro-N-(triazolo[1,5-b]pyridazin-3-ylmethyl)benzamide is sourced from PubChem (CID 139532932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).