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

C14H11F3N8 — CID 166356512

IUPACN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc2nnc(CNc3ccc4nnc(C(F)(F)F)n4n3)n2c1
InChIInChI=1S/C14H11F3N8/c1-8-2-4-10-19-21-12(24(10)7-8)6-18-9-3-5-11-20-22-13(14(15,16)17)25(11)23-9/h2-5,7H,6H2,1H3,(H,18,23)
InChIKeyOBWYXVCISSHLFQ-UHFFFAOYSA-N
MW348.29 g/mol
LogP2.11
Rot. Bonds3

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

N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 166356512) has the molecular formula C14H11F3N8 and a molecular weight of 348.29 g/mol. Its IUPAC name is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID166356512
Molecular FormulaC14H11F3N8
Molecular Weight348.29 g/mol
Exact Mass348.11
IUPAC NameN-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCc1ccc2nnc(CNc3ccc4nnc(C(F)(F)F)n4n3)n2c1
InChIInChI=1S/C14H11F3N8/c1-8-2-4-10-19-21-12(24(10)7-8)6-18-9-3-5-11-20-22-13(14(15,16)17)25(11)23-9/h2-5,7H,6H2,1H3,(H,18,23)
InChIKeyOBWYXVCISSHLFQ-UHFFFAOYSA-N
XLogP2.11
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine 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 N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 166356512) is N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is Cc1ccc2nnc(CNc3ccc4nnc(C(F)(F)F)n4n3)n2c1.
What is the InChIKey of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is OBWYXVCISSHLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N8/c1-8-2-4-10-19-21-12(24(10)7-8)6-18-9-3-5-11-20-22-13(14(15,16)17)25(11)23-9/h2-5,7H,6H2,1H3,(H,18,23).
What are the key properties of N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 348.29 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 166356512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).