(1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine

C13H12F4N4 — CID 168750252

IUPAC(1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)nn1)c1ncccc1F
InChIInChI=1S/C13H12F4N4/c1-8(12-10(14)3-2-6-18-12)19-7-9-4-5-11(21-20-9)13(15,16)17/h2-6,8,19H,7H2,1H3/t8-/m1/s1
InChIKeyWHQAZVZLSBKXIX-MRVPVSSYSA-N
MW300.26 g/mol
LogP2.88
Rot. Bonds4

About (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine

(1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine (PubChem CID 168750252) has the molecular formula C13H12F4N4 and a molecular weight of 300.26 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
PubChem CID168750252
Molecular FormulaC13H12F4N4
Molecular Weight300.26 g/mol
Exact Mass300.10
IUPAC Name(1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine
SMILESC[C@@H](NCc1ccc(C(F)(F)F)nn1)c1ncccc1F
InChIInChI=1S/C13H12F4N4/c1-8(12-10(14)3-2-6-18-12)19-7-9-4-5-11(21-20-9)13(15,16)17/h2-6,8,19H,7H2,1H3/t8-/m1/s1
InChIKeyWHQAZVZLSBKXIX-MRVPVSSYSA-N
XLogP2.88
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(3-fluoro-2-pyridinyl)-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]ethanamine
CID 168750275
(1R)-N-[(6-methoxypyridazin-3-yl)methyl]-1-pyrimidin-2-ylethanamine
CID 156830398
1-(3-fluoro-2-pyridinyl)-N-[[3-(imidazol-1-ylmethyl)phenyl]methyl]ethanamine
CID 166397375
N-(pyridin-2-ylmethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43195718
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
3-fluoro-2-(1,2,2,2-tetrafluoroethyl)pyridine
CID 23236381
(1S)-1-(3-fluoro-2-pyridinyl)ethanamine;hydrochloride
CID 53487490
1-(2-fluoro-6-methoxyphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895281
(1R)-N-[[6-(3,3-difluoroazetidin-1-yl)pyridazin-3-yl]methyl]-1-pyrimidin-2-ylethanamine
CID 156830173
N-[(3-fluoro-2-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115895297
1-(2,5-difluoro-4-methylphenyl)-N-(pyridazin-3-ylmethyl)ethanamine
CID 106895273
N-[1-(3-fluoro-2-pyridinyl)ethyl]-2-methylpyrimidin-4-amine
CID 122154387

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine (CID 168750252) is (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine is C[C@@H](NCc1ccc(C(F)(F)F)nn1)c1ncccc1F.
What is the InChIKey of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is WHQAZVZLSBKXIX-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H12F4N4/c1-8(12-10(14)3-2-6-18-12)19-7-9-4-5-11(21-20-9)13(15,16)17/h2-6,8,19H,7H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine?
(1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 300.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-2-pyridinyl)-N-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 168750252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).