N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine

C12H18F3N3O — CID 103374480

IUPACN-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccc(OC)nn1
InChIInChI=1S/C12H18F3N3O/c1-3-16-9(5-4-8-12(13,14)15)10-6-7-11(19-2)18-17-10/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyZRRMLMFPKHGEKE-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.87
Rot. Bonds7

About N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine

N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine (PubChem CID 103374480) has the molecular formula C12H18F3N3O and a molecular weight of 277.29 g/mol. Its IUPAC name is N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine
PubChem CID103374480
Molecular FormulaC12H18F3N3O
Molecular Weight277.29 g/mol
Exact Mass277.14
IUPAC NameN-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine
SMILESCCNC(CCCC(F)(F)F)c1ccc(OC)nn1
InChIInChI=1S/C12H18F3N3O/c1-3-16-9(5-4-8-12(13,14)15)10-6-7-11(19-2)18-17-10/h6-7,9,16H,3-5,8H2,1-2H3
InChIKeyZRRMLMFPKHGEKE-UHFFFAOYSA-N
XLogP2.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(6-methoxypyridazin-3-yl)butan-1-amine
CID 103374404
N-ethyl-1-(6-methoxypyridazin-3-yl)hex-4-yn-1-amine
CID 103374605
N-ethyl-1-(6-methoxypyridazin-3-yl)but-3-yn-1-amine
CID 103374443
N-ethyl-5,5,5-trifluoro-1-(3-methoxy-4-pyridinyl)pentan-1-amine
CID 105065948
1-(4-bromophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 113326940
2-(4-chloro-2-fluorophenyl)-N-ethyl-1-(6-methoxypyridazin-3-yl)ethanamine
CID 103374657
1-(6-methoxypyridazin-3-yl)-5,5-dimethylhexan-1-ol
CID 114209890
1-(3,5-difluorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 115516524
N-ethyl-4,4,4-trifluoro-1-(4-methoxyphenyl)butan-1-amine
CID 64567410
1-(4-bromo-2-methoxyphenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024137
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
N-ethyl-1-(6-methoxypyridazin-3-yl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 103374498

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine?
The IUPAC name of N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine (CID 103374480) is N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine.
What is the SMILES notation for N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine?
The canonical SMILES for N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine is CCNC(CCCC(F)(F)F)c1ccc(OC)nn1.
What is the InChIKey of N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine?
The InChIKey is ZRRMLMFPKHGEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O/c1-3-16-9(5-4-8-12(13,14)15)10-6-7-11(19-2)18-17-10/h6-7,9,16H,3-5,8H2,1-2H3.
What are the key properties of N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine?
N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5,5-trifluoro-1-(6-methoxypyridazin-3-yl)pentan-1-amine is sourced from PubChem (CID 103374480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).