(1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine

C5H7F3N4 — CID 96717693

IUPAC(1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H7F3N4/c1-2(9)3-10-4(12-11-3)5(6,7)8/h2H,9H2,1H3,(H,10,11,12)/t2-/m1/s1
InChIKeyABSUTWXXCSJXDD-UWTATZPHSA-N
MW180.13 g/mol
LogP0.84
Rot. Bonds1

About (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine

(1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine (PubChem CID 96717693) has the molecular formula C5H7F3N4 and a molecular weight of 180.13 g/mol. Its IUPAC name is (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine.

Molecular Properties

Compound Name(1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine
PubChem CID96717693
Molecular FormulaC5H7F3N4
Molecular Weight180.13 g/mol
Exact Mass180.06
IUPAC Name(1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine
SMILESC[C@@H](N)c1nc(C(F)(F)F)n[nH]1
InChIInChI=1S/C5H7F3N4/c1-2(9)3-10-4(12-11-3)5(6,7)8/h2H,9H2,1H3,(H,10,11,12)/t2-/m1/s1
InChIKeyABSUTWXXCSJXDD-UWTATZPHSA-N
XLogP0.84
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 16682443
2-(5-methyl-1H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 50988180
5-(difluoromethyl)-3-ethyl-1H-1,2,4-triazole
CID 61278542
1-[5-(propan-2-yl)-4H-1,2,4-triazol-3-yl]methanamine
CID 61336968
1-(5-methyl-4H-1,2,4-triazol-3-yl)ethan-1-amine hydrochloride
CID 112756643
3-Methyl-1H-1,2,4-triazole-5-ethanamine
CID 173780
3-Ethyl-5-trifluoromethyl-1,2,4-triazole
CID 20592699
1-(5-Methyl-1H-1,2,4-triazol-3-yl)methanamine
CID 1382012
US10227314, Example 5
CID 90032077
3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-amine hydrochloride
CID 56828131
3-(2-((propan-2-yl)amino)ethyl)-1H-1,2,4-triazol-5-amine
CID 61319572
5-(difluoromethyl)-3-(propan-2-yl)-1H-1,2,4-triazole
CID 61351269

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The IUPAC name of (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine (CID 96717693) is (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine.
What is the SMILES notation for (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The canonical SMILES for (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine is C[C@@H](N)c1nc(C(F)(F)F)n[nH]1.
What is the InChIKey of (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
The InChIKey is ABSUTWXXCSJXDD-UWTATZPHSA-N. The full InChI is InChI=1S/C5H7F3N4/c1-2(9)3-10-4(12-11-3)5(6,7)8/h2H,9H2,1H3,(H,10,11,12)/t2-/m1/s1.
What are the key properties of (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine?
(1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine has a molecular weight of 180.13 g/mol, XLogP of 0.84, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]ethanamine is sourced from PubChem (CID 96717693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).