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

C10H10F2N4 — CID 65362662

IUPAC2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1ncn[nH]1
InChIInChI=1S/C10H10F2N4/c11-7-1-2-8(12)6(3-7)4-9(13)10-14-5-15-16-10/h1-3,5,9H,4,13H2,(H,14,15,16)
InChIKeyCHWDWSCOWGVJBX-UHFFFAOYSA-N
MW224.21 g/mol
LogP1.33
Rot. Bonds3

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

2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (PubChem CID 65362662) has the molecular formula C10H10F2N4 and a molecular weight of 224.21 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
PubChem CID65362662
Molecular FormulaC10H10F2N4
Molecular Weight224.21 g/mol
Exact Mass224.09
IUPAC Name2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
SMILESNC(Cc1cc(F)ccc1F)c1ncn[nH]1
InChIInChI=1S/C10H10F2N4/c11-7-1-2-8(12)6(3-7)4-9(13)10-14-5-15-16-10/h1-3,5,9H,4,13H2,(H,14,15,16)
InChIKeyCHWDWSCOWGVJBX-UHFFFAOYSA-N
XLogP1.33
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.21
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-fluoro-2-methylphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 105373987
2-(4-chloro-2-fluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 114855881
2-(2-fluoro-3-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 113453797
2-(2,5-difluorophenyl)-1-pyrimidin-4-ylethanamine
CID 63988739
(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362903
1-(5-chloro-2-fluorophenyl)-2-(2,5-difluorophenyl)ethanamine
CID 114885798
(4-fluoro-2-methylphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362958
N-[2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]propan-1-amine
CID 65360793
3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 62505348
(2S)-3-(2,5-difluorophenyl)-2-methylpropan-1-amine
CID 94460708
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200827
4-[2-amino-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-2-amine
CID 65363413

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine (CID 65362662) is 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is NC(Cc1cc(F)ccc1F)c1ncn[nH]1.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
The InChIKey is CHWDWSCOWGVJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4/c11-7-1-2-8(12)6(3-7)4-9(13)10-14-5-15-16-10/h1-3,5,9H,4,13H2,(H,14,15,16).
What are the key properties of 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine?
2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine has a molecular weight of 224.21 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine is sourced from PubChem (CID 65362662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).