1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine

C10H10F2N4 — CID 114419303

IUPAC1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C10H10F2N4/c1-6(13)9-5-16(15-14-9)10-4-7(11)2-3-8(10)12/h2-6H,13H2,1H3
InChIKeyWQEVTEJCCQUGLH-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.57
Rot. Bonds2

About 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine

1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine (PubChem CID 114419303) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
PubChem CID114419303
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine
SMILESCC(N)c1cn(-c2cc(F)ccc2F)nn1
InChIInChI=1S/C10H10F2N4/c1-6(13)9-5-16(15-14-9)10-4-7(11)2-3-8(10)12/h2-6H,13H2,1H3
InChIKeyWQEVTEJCCQUGLH-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-fluoro-5-methoxyphenyl)triazol-4-yl]ethanamine
CID 114419370
4-[(2R)-butan-2-yl]-1-(2,5-difluorophenyl)triazole
CID 135133408
4-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)triazole
CID 81445040
1-[1-(4-chloro-2-fluorophenyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114202203
7-[1-[1-(2,5-difluorophenyl)triazol-4-yl]propyl]-5-iodopyrrolo[2,3-d]pyrimidin-4-amine
CID 134518771
1-[1-(2,3-dimethylphenyl)triazol-4-yl]ethanamine
CID 114419243
1-[1-(4-fluoro-2-iodophenyl)triazol-4-yl]ethanol
CID 81444281
4-but-1-en-2-yl-1-(2,5-difluorophenyl)triazole
CID 140879668
1-[1-(2,3-dichlorophenyl)triazol-4-yl]ethanamine
CID 114419272
1-[1-(4-bromo-2-fluorophenyl)triazol-4-yl]-2-methylpropan-1-amine
CID 114202218
1-[1-(2-fluorophenyl)triazol-4-yl]-N-methylethanamine
CID 117167487
1-[1-(4-fluoro-2-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106226952

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine?
The IUPAC name of 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine (CID 114419303) is 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine.
What is the SMILES notation for 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine?
The canonical SMILES for 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine is CC(N)c1cn(-c2cc(F)ccc2F)nn1.
What is the InChIKey of 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine?
The InChIKey is WQEVTEJCCQUGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c1-6(13)9-5-16(15-14-9)10-4-7(11)2-3-8(10)12/h2-6H,13H2,1H3.
What are the key properties of 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine?
1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine has a molecular weight of 224.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-difluorophenyl)triazol-4-yl]ethanamine is sourced from PubChem (CID 114419303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).