acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

C8H8F3N5O2 — CID 67374659

IUPACacetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCC(=O)O.Nc1nc2nc(C(F)(F)F)ccn2n1
InChIInChI=1S/C6H4F3N5.C2H4O2/c7-6(8,9)3-1-2-14-5(11-3)12-4(10)13-14;1-2(3)4/h1-2H,(H2,10,13);1H3,(H,3,4)
InChIKeyZSFSJTHQFBRBEE-UHFFFAOYSA-N
MW263.18 g/mol
LogP0.82
Rot. Bonds

About acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine

acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (PubChem CID 67374659) has the molecular formula C8H8F3N5O2 and a molecular weight of 263.18 g/mol. Its IUPAC name is acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.

Molecular Properties

Compound Nameacetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
PubChem CID67374659
Molecular FormulaC8H8F3N5O2
Molecular Weight263.18 g/mol
Exact Mass263.06
IUPAC Nameacetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine
SMILESCC(=O)O.Nc1nc2nc(C(F)(F)F)ccn2n1
InChIInChI=1S/C6H4F3N5.C2H4O2/c7-6(8,9)3-1-2-14-5(11-3)12-4(10)13-14;1-2(3)4/h1-2H,(H2,10,13);1H3,(H,3,4)
InChIKeyZSFSJTHQFBRBEE-UHFFFAOYSA-N
XLogP0.82
TPSA106.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.18
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The IUPAC name of acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine (CID 67374659) is acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine.
What is the SMILES notation for acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The canonical SMILES for acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is CC(=O)O.Nc1nc2nc(C(F)(F)F)ccn2n1.
What is the InChIKey of acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
The InChIKey is ZSFSJTHQFBRBEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5.C2H4O2/c7-6(8,9)3-1-2-14-5(11-3)12-4(10)13-14;1-2(3)4/h1-2H,(H2,10,13);1H3,(H,3,4).
What are the key properties of acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine?
acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine has a molecular weight of 263.18 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-2-amine is sourced from PubChem (CID 67374659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).