2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

C8H15FN4 — CID 84660608

IUPAC2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)(F)Cn1ncnc1CCN
InChIInChI=1S/C8H15FN4/c1-8(2,9)5-13-7(3-4-10)11-6-12-13/h6H,3-5,10H2,1-2H3
InChIKeyBLUUJVZKDRMBBY-UHFFFAOYSA-N
MW186.23 g/mol
LogP0.53
Rot. Bonds4

About 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine

2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (PubChem CID 84660608) has the molecular formula C8H15FN4 and a molecular weight of 186.23 g/mol. Its IUPAC name is 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
PubChem CID84660608
Molecular FormulaC8H15FN4
Molecular Weight186.23 g/mol
Exact Mass186.13
IUPAC Name2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine
SMILESCC(C)(F)Cn1ncnc1CCN
InChIInChI=1S/C8H15FN4/c1-8(2,9)5-13-7(3-4-10)11-6-12-13/h6H,3-5,10H2,1-2H3
InChIKeyBLUUJVZKDRMBBY-UHFFFAOYSA-N
XLogP0.53
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The IUPAC name of 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine (CID 84660608) is 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The canonical SMILES for 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is CC(C)(F)Cn1ncnc1CCN.
What is the InChIKey of 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
The InChIKey is BLUUJVZKDRMBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN4/c1-8(2,9)5-13-7(3-4-10)11-6-12-13/h6H,3-5,10H2,1-2H3.
What are the key properties of 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine?
2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine has a molecular weight of 186.23 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-2-methylpropyl)-1,2,4-triazol-3-yl]ethanamine is sourced from PubChem (CID 84660608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).