N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine

C14H11F3N6O — CID 71577456

IUPACN-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine
SMILESCC(Nc1ccc(-c2noc(C(F)(F)F)n2)nn1)c1ccncc1
InChIInChI=1S/C14H11F3N6O/c1-8(9-4-6-18-7-5-9)19-11-3-2-10(21-22-11)12-20-13(24-23-12)14(15,16)17/h2-8H,1H3,(H,19,22)
InChIKeyLAVCZVKIZGFAPP-UHFFFAOYSA-N
MW336.28 g/mol
LogP3.11
Rot. Bonds4

About N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine

N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine (PubChem CID 71577456) has the molecular formula C14H11F3N6O and a molecular weight of 336.28 g/mol. Its IUPAC name is N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine.

Molecular Properties

Compound NameN-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine
PubChem CID71577456
Molecular FormulaC14H11F3N6O
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC NameN-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine
SMILESCC(Nc1ccc(-c2noc(C(F)(F)F)n2)nn1)c1ccncc1
InChIInChI=1S/C14H11F3N6O/c1-8(9-4-6-18-7-5-9)19-11-3-2-10(21-22-11)12-20-13(24-23-12)14(15,16)17/h2-8H,1H3,(H,19,22)
InChIKeyLAVCZVKIZGFAPP-UHFFFAOYSA-N
XLogP3.11
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-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-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine?
The IUPAC name of N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine (CID 71577456) is N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine.
What is the SMILES notation for N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine?
The canonical SMILES for N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine is CC(Nc1ccc(-c2noc(C(F)(F)F)n2)nn1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine?
The InChIKey is LAVCZVKIZGFAPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N6O/c1-8(9-4-6-18-7-5-9)19-11-3-2-10(21-22-11)12-20-13(24-23-12)14(15,16)17/h2-8H,1H3,(H,19,22).
What are the key properties of N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine?
N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine has a molecular weight of 336.28 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylethyl)-6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyridazin-3-amine is sourced from PubChem (CID 71577456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).