N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine

C10H12F3N3 — CID 103525202

IUPACN-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)=CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3/c1-7(2)5-6-14-9-4-3-8(15-16-9)10(11,12)13/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeyKSDYYISSNKGASK-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.87
Rot. Bonds3

About N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine

N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine (PubChem CID 103525202) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
PubChem CID103525202
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC NameN-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine
SMILESCC(C)=CCNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3/c1-7(2)5-6-14-9-4-3-8(15-16-9)10(11,12)13/h3-5H,6H2,1-2H3,(H,14,16)
InChIKeyKSDYYISSNKGASK-UHFFFAOYSA-N
XLogP2.87
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine?
The IUPAC name of N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine (CID 103525202) is N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine is CC(C)=CCNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine?
The InChIKey is KSDYYISSNKGASK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c1-7(2)5-6-14-9-4-3-8(15-16-9)10(11,12)13/h3-5H,6H2,1-2H3,(H,14,16).
What are the key properties of N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine?
N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine has a molecular weight of 231.22 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)-6-(trifluoromethyl)pyridazin-3-amine is sourced from PubChem (CID 103525202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).