1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine

C11H12F2N4 — CID 105359649

IUPAC1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C11H12F2N4/c1-7(14)11-15-6-17(16-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7H,5,14H2,1H3
InChIKeyMJWMAFNDFGRRBX-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.62
Rot. Bonds3

About 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine

1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine (PubChem CID 105359649) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
PubChem CID105359649
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
SMILESCC(N)c1ncn(Cc2ccc(F)cc2F)n1
InChIInChI=1S/C11H12F2N4/c1-7(14)11-15-6-17(16-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7H,5,14H2,1H3
InChIKeyMJWMAFNDFGRRBX-UHFFFAOYSA-N
XLogP1.62
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(3,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359676
1-[1-[(2,5-dichlorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359536
[4-[[3-(1-aminoethyl)-1,2,4-triazol-1-yl]methyl]phenyl]methanol
CID 105359663
1-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]ethanamine
CID 105359607
1-[(2,4-difluorophenyl)methyl]pyrazol-3-amine
CID 50999564
1-[(2,4-difluorophenyl)methyl]-3-propan-2-yloxypyrazole
CID 141168670
1-[3-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-2-methylpropan-1-amine
CID 102969676
1-(2,4-difluorophenyl)propan-2-amine;hydrochloride
CID 155973682
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
N-[[1-[(4-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methyl]-2-methylpropan-1-amine
CID 114859939
[1-[(4-chloro-2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 114859929
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine (CID 105359649) is 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine is CC(N)c1ncn(Cc2ccc(F)cc2F)n1.
What is the InChIKey of 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is MJWMAFNDFGRRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c1-7(14)11-15-6-17(16-11)5-8-2-3-9(12)4-10(8)13/h2-4,6-7H,5,14H2,1H3.
What are the key properties of 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine?
1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 238.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,4-difluorophenyl)methyl]-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 105359649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).