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

C10H15F2N3 — CID 104670142

IUPACN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1nnc(C)cc1CNCC(F)F
InChIInChI=1S/C10H15F2N3/c1-3-9-8(4-7(2)14-15-9)5-13-6-10(11)12/h4,10,13H,3,5-6H2,1-2H3
InChIKeyKEFLDATWTNWSGF-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.70
Rot. Bonds5

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

N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine (PubChem CID 104670142) has the molecular formula C10H15F2N3 and a molecular weight of 215.25 g/mol. Its IUPAC name is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
PubChem CID104670142
Molecular FormulaC10H15F2N3
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC NameN-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine
SMILESCCc1nnc(C)cc1CNCC(F)F
InChIInChI=1S/C10H15F2N3/c1-3-9-8(4-7(2)14-15-9)5-13-6-10(11)12/h4,10,13H,3,5-6H2,1-2H3
InChIKeyKEFLDATWTNWSGF-UHFFFAOYSA-N
XLogP1.70
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.70
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-benzyl-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155527636
3-[[3-(trifluoromethyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-pyridazino[3,4-d]azepine
CID 155549312
2-[3,6-bis(trifluoromethyl)pyridazin-4-yl]-N-methylaniline
CID 13724947
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
3-[6-(2,4-Difluorophenyl)pyridazin-3-yl]propan-1-amine
CID 69106470
3-[6-(3,4-Difluorophenyl)pyridazin-3-yl]propan-1-amine
CID 69106663
4-Piperidin-4-yl-6-(trifluoromethyl)pyridazin-3-amine
CID 69283231
4-(1,1-Difluoroethyl)-3,6-dimethylpyridazine
CID 117864780
4-[2-[6-Methyl-4-(trifluoromethyl)pyridazin-3-yl]ethyl]-3-azabicyclo[4.1.0]heptane
CID 123295532

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine (CID 104670142) is N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine is CCc1nnc(C)cc1CNCC(F)F.
What is the InChIKey of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
The InChIKey is KEFLDATWTNWSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3/c1-3-9-8(4-7(2)14-15-9)5-13-6-10(11)12/h4,10,13H,3,5-6H2,1-2H3.
What are the key properties of N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine?
N-[(3-ethyl-6-methylpyridazin-4-yl)methyl]-2,2-difluoroethanamine has a molecular weight of 215.25 g/mol, XLogP of 1.70, 5 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-difluoroethanamine is sourced from PubChem (CID 104670142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).