N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine

C17H11F3N6 — CID 69158854

IUPACN-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine
SMILESFC(F)(F)c1ccc(-c2cnnc(Nc3cccn4nncc34)c2)cc1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)13-5-3-11(4-6-13)12-8-16(24-21-9-12)23-14-2-1-7-26-15(14)10-22-25-26/h1-10H,(H,23,24)
InChIKeyNLGWHDZUHNNFHR-UHFFFAOYSA-N
MW356.31 g/mol
LogP3.95
Rot. Bonds3

About N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine

N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine (PubChem CID 69158854) has the molecular formula C17H11F3N6 and a molecular weight of 356.31 g/mol. Its IUPAC name is N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine.

Molecular Properties

Compound NameN-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine
PubChem CID69158854
Molecular FormulaC17H11F3N6
Molecular Weight356.31 g/mol
Exact Mass356.10
IUPAC NameN-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine
SMILESFC(F)(F)c1ccc(-c2cnnc(Nc3cccn4nncc34)c2)cc1
InChIInChI=1S/C17H11F3N6/c18-17(19,20)13-5-3-11(4-6-13)12-8-16(24-21-9-12)23-14-2-1-7-26-15(14)10-22-25-26/h1-10H,(H,23,24)
InChIKeyNLGWHDZUHNNFHR-UHFFFAOYSA-N
XLogP3.95
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine?
The IUPAC name of N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine (CID 69158854) is N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine.
What is the SMILES notation for N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine?
The canonical SMILES for N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine is FC(F)(F)c1ccc(-c2cnnc(Nc3cccn4nncc34)c2)cc1.
What is the InChIKey of N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine?
The InChIKey is NLGWHDZUHNNFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N6/c18-17(19,20)13-5-3-11(4-6-13)12-8-16(24-21-9-12)23-14-2-1-7-26-15(14)10-22-25-26/h1-10H,(H,23,24).
What are the key properties of N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine?
N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(trifluoromethyl)phenyl]pyridazin-3-yl]triazolo[1,5-a]pyridin-4-amine is sourced from PubChem (CID 69158854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).