N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine

C9H12F3N3 — CID 104670131

IUPACN-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(CNCC(F)(F)F)c(C)nn1
InChIInChI=1S/C9H12F3N3/c1-6-3-8(7(2)15-14-6)4-13-5-9(10,11)12/h3,13H,4-5H2,1-2H3
InChIKeyLLEJLWATNNYNME-UHFFFAOYSA-N
MW219.21 g/mol
LogP1.75
Rot. Bonds3

About N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine

N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 104670131) has the molecular formula C9H12F3N3 and a molecular weight of 219.21 g/mol. Its IUPAC name is N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID104670131
Molecular FormulaC9H12F3N3
Molecular Weight219.21 g/mol
Exact Mass219.10
IUPAC NameN-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCc1cc(CNCC(F)(F)F)c(C)nn1
InChIInChI=1S/C9H12F3N3/c1-6-3-8(7(2)15-14-6)4-13-5-9(10,11)12/h3,13H,4-5H2,1-2H3
InChIKeyLLEJLWATNNYNME-UHFFFAOYSA-N
XLogP1.75
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-fluorophenyl)methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155513179
3-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155549312
4-Methyl-3,6-bis(trifluoromethyl)pyridazine
CID 71374916
3-(1,1-Difluoro-3-piperidin-4-ylpropyl)-6-methylpyridazine
CID 18187498
N'-[[6-(trifluoromethyl)pyridazin-3-yl]methyl]ethane-1,2-diamine
CID 21698478
N-[[6-(trifluoromethyl)pyridazin-4-yl]methyl]ethanamine
CID 68357587
4-(1,1-Difluoroethyl)-3,6-dimethylpyridazine
CID 117864780
4-(1,1-Difluoroethyl)-6-methyl-3-prop-1-ynylpyridazine
CID 117865231
4-(2-Fluoropropan-2-yl)-3,6-dimethylpyridazine
CID 117865260
4-[2-[6-Methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123295532
(1R,4R,6R)-4-[2-[6-methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123667248
3,4-Dimethyl-6-(trifluoromethyl)pyridazine
CID 124128989

Frequently Asked Questions

What is the IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine (CID 104670131) is N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine is Cc1cc(CNCC(F)(F)F)c(C)nn1.
What is the InChIKey of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is LLEJLWATNNYNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3/c1-6-3-8(7(2)15-14-6)4-13-5-9(10,11)12/h3,13H,4-5H2,1-2H3.
What are the key properties of N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 219.21 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,6-dimethylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 104670131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).