[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine

C10H10F2N4 — CID 114933213

IUPAC[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H10F2N4/c11-9-2-1-3-10(12)8(9)6-16-5-7(4-13)14-15-16/h1-3,5H,4,6,13H2
InChIKeyHGCOJGMUFJCHER-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.06
Rot. Bonds3

About [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine

[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine (PubChem CID 114933213) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
PubChem CID114933213
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
SMILESNCc1cn(Cc2c(F)cccc2F)nn1
InChIInChI=1S/C10H10F2N4/c11-9-2-1-3-10(12)8(9)6-16-5-7(4-13)14-15-16/h1-3,5H,4,6,13H2
InChIKeyHGCOJGMUFJCHER-UHFFFAOYSA-N
XLogP1.06
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]propan-1-amine
CID 106221711
2-amino-N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114933223
N-[[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methyl]propan-2-amine
CID 114934975
1-[4-(aminomethyl)triazol-1-yl]-3-(2,6-difluorophenyl)propan-2-one
CID 114935482
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
4-(2-chloroethyl)-1-[(2-chloro-6-fluorophenyl)methyl]triazole
CID 62399901
1-[(2,6-difluorophenyl)methyl]-N-methyltriazol-4-amine
CID 54446474
2-[4-(aminomethyl)triazol-1-yl]-1-(2,6-difluorophenyl)ethanone
CID 116599735
2-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]triazol-4-yl]ethanamine
CID 116641837
[1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanamine
CID 82204215
4-[1-[(3-bromo-2,6-difluorophenyl)methyl]triazol-4-yl]butan-1-amine
CID 106270782
2-amino-N-[[1-[(2,3-difluorophenyl)methyl]triazol-4-yl]methyl]acetamide
CID 114778664

Frequently Asked Questions

What is the IUPAC name of [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine (CID 114933213) is [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine is NCc1cn(Cc2c(F)cccc2F)nn1.
What is the InChIKey of [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is HGCOJGMUFJCHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c11-9-2-1-3-10(12)8(9)6-16-5-7(4-13)14-15-16/h1-3,5H,4,6,13H2.
What are the key properties of [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine?
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 224.21 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 114933213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).