[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine

C10H10F2N4 — CID 82473301

IUPAC[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(CN)nc1-c1ccc(F)cc1F
InChIInChI=1S/C10H10F2N4/c1-16-10(14-9(5-13)15-16)7-3-2-6(11)4-8(7)12/h2-4H,5,13H2,1H3
InChIKeyXLNAFJYTTCADJW-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.22
Rot. Bonds2

About [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine

[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine (PubChem CID 82473301) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
PubChem CID82473301
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
SMILESCn1nc(CN)nc1-c1ccc(F)cc1F
InChIInChI=1S/C10H10F2N4/c1-16-10(14-9(5-13)15-16)7-3-2-6(11)4-8(7)12/h2-4H,5,13H2,1H3
InChIKeyXLNAFJYTTCADJW-UHFFFAOYSA-N
XLogP1.22
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(2-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472126
[5-(2-bromophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82487227
2-[5-(4-fluorophenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82472579
[5-(2-chloro-4-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481633
2-[5-(2,4-difluorophenyl)-3-propyl-1,2,4-triazol-1-yl]ethanol
CID 59165295
5-(2-chloro-4-fluorophenyl)-3-(ethoxymethyl)-1-methyl-1,2,4-triazole
CID 72864286
5-[5-(2,4-difluorophenyl)-4-methylthiophen-3-yl]-3-(2-fluoro-6-methylphenyl)-1-methyl-1,2,4-triazole
CID 142222497
2-[5-(4-fluoro-3-methylphenyl)-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 82475862
[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
CID 82472128
(4-hydroxy-3-oxobutan-2-yl) 2-[[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]oxy]acetate
CID 167594995
N-[3-[5-(aminomethyl)-2-methyl-1,2,4-triazol-3-yl]-4-methoxyphenyl]acetamide
CID 98019158
3-(bromomethyl)-5-(2,4-difluorophenyl)-4-propyl-1,2,4-triazole
CID 113302498

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine (CID 82473301) is [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine is Cn1nc(CN)nc1-c1ccc(F)cc1F.
What is the InChIKey of [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
The InChIKey is XLNAFJYTTCADJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-16-10(14-9(5-13)15-16)7-3-2-6(11)4-8(7)12/h2-4H,5,13H2,1H3.
What are the key properties of [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine?
[5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine has a molecular weight of 224.21 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-difluorophenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 82473301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).