N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

C13H19F3N4 — CID 62284048

IUPACN-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C13H19F3N4/c1-2-7-17-8-10-3-6-12(19-18-10)20(11-4-5-11)9-13(14,15)16/h3,6,11,17H,2,4-5,7-9H2,1H3
InChIKeyYFUQXEKMNSFMHT-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.51
Rot. Bonds7

About N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine

N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (PubChem CID 62284048) has the molecular formula C13H19F3N4 and a molecular weight of 288.32 g/mol. Its IUPAC name is N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
PubChem CID62284048
Molecular FormulaC13H19F3N4
Molecular Weight288.32 g/mol
Exact Mass288.16
IUPAC NameN-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine
SMILESCCCNCc1ccc(N(CC(F)(F)F)C2CC2)nn1
InChIInChI=1S/C13H19F3N4/c1-2-7-17-8-10-3-6-12(19-18-10)20(11-4-5-11)9-13(14,15)16/h3,6,11,17H,2,4-5,7-9H2,1H3
InChIKeyYFUQXEKMNSFMHT-UHFFFAOYSA-N
XLogP2.51
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The IUPAC name of N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine (CID 62284048) is N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine.
What is the SMILES notation for N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The canonical SMILES for N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is CCCNCc1ccc(N(CC(F)(F)F)C2CC2)nn1.
What is the InChIKey of N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
The InChIKey is YFUQXEKMNSFMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N4/c1-2-7-17-8-10-3-6-12(19-18-10)20(11-4-5-11)9-13(14,15)16/h3,6,11,17H,2,4-5,7-9H2,1H3.
What are the key properties of N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine?
N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine has a molecular weight of 288.32 g/mol, XLogP of 2.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)pyridazin-3-amine is sourced from PubChem (CID 62284048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).