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

C10H14F3N3 — CID 104670132

IUPACN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1nnc(C)cc1CNCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-3-9-8(4-7(2)15-16-9)5-14-6-10(11,12)13/h4,14H,3,5-6H2,1-2H3
InChIKeyMOZSXVLLUOZYOL-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.00
Rot. Bonds4

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

N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 104670132) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
PubChem CID104670132
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine
SMILESCCc1nnc(C)cc1CNCC(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-3-9-8(4-7(2)15-16-9)5-14-6-10(11,12)13/h4,14H,3,5-6H2,1-2H3
InChIKeyMOZSXVLLUOZYOL-UHFFFAOYSA-N
XLogP2.00
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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-Piperidin-4-yl-6-(trifluoromethyl)pyridazin-3-amine
CID 69283231
[1-[6-(Trifluoromethyl)pyridazin-3-yl]cyclopropyl]methanamine
CID 89555777
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
3-(6-Trifluoromethylpyridazin-3-yl)benzylamine
CID 118222723

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine (CID 104670132) is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine is CCc1nnc(C)cc1CNCC(F)(F)F.
What is the InChIKey of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is MOZSXVLLUOZYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-3-9-8(4-7(2)15-16-9)5-14-6-10(11,12)13/h4,14H,3,5-6H2,1-2H3.
What are the key properties of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine?
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 233.24 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 104670132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).