N-(4,4,4-trifluorobutyl)pyridazin-3-amine

C8H10F3N3 — CID 79040501

IUPACN-(4,4,4-trifluorobutyl)pyridazin-3-amine
SMILESFC(F)(F)CCCNc1cccnn1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-2-5-12-7-3-1-6-13-14-7/h1,3,6H,2,4-5H2,(H,12,14)
InChIKeyBWNOBLWKPXMFTJ-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.23
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)pyridazin-3-amine

N-(4,4,4-trifluorobutyl)pyridazin-3-amine (PubChem CID 79040501) has the molecular formula C8H10F3N3 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)pyridazin-3-amine
PubChem CID79040501
Molecular FormulaC8H10F3N3
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-(4,4,4-trifluorobutyl)pyridazin-3-amine
SMILESFC(F)(F)CCCNc1cccnn1
InChIInChI=1S/C8H10F3N3/c9-8(10,11)4-2-5-12-7-3-1-6-13-14-7/h1,3,6H,2,4-5H2,(H,12,14)
InChIKeyBWNOBLWKPXMFTJ-UHFFFAOYSA-N
XLogP2.23
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(4,4,4-trifluorobutyl)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-(4,4,4-trifluorobutyl)pyridazin-3-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)pyridazin-3-amine (CID 79040501) is N-(4,4,4-trifluorobutyl)pyridazin-3-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)pyridazin-3-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)pyridazin-3-amine is FC(F)(F)CCCNc1cccnn1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)pyridazin-3-amine?
The InChIKey is BWNOBLWKPXMFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3/c9-8(10,11)4-2-5-12-7-3-1-6-13-14-7/h1,3,6H,2,4-5H2,(H,12,14).
What are the key properties of N-(4,4,4-trifluorobutyl)pyridazin-3-amine?
N-(4,4,4-trifluorobutyl)pyridazin-3-amine has a molecular weight of 205.18 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)pyridazin-3-amine is sourced from PubChem (CID 79040501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).