7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride

C6H5ClF3N5O — CID 137129998

IUPAC7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H4F3N5O.ClH/c7-6(8,9)4-12-5-11-3(15)1-2(10)14(5)13-4;/h1H,10H2,(H,11,12,13,15);1H
InChIKeyDRAHPJGSKGINOR-UHFFFAOYSA-N
MW255.59 g/mol
LogP0.44
Rot. Bonds

About 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride

7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride (PubChem CID 137129998) has the molecular formula C6H5ClF3N5O and a molecular weight of 255.59 g/mol. Its IUPAC name is 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride.

Molecular Properties

Compound Name7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride
PubChem CID137129998
Molecular FormulaC6H5ClF3N5O
Molecular Weight255.59 g/mol
Exact Mass255.01
IUPAC Name7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride
SMILESCl.Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12
InChIInChI=1S/C6H4F3N5O.ClH/c7-6(8,9)4-12-5-11-3(15)1-2(10)14(5)13-4;/h1H,10H2,(H,11,12,13,15);1H
InChIKeyDRAHPJGSKGINOR-UHFFFAOYSA-N
XLogP0.44
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.59
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The IUPAC name of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride (CID 137129998) is 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride.
What is the SMILES notation for 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The canonical SMILES for 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride is Cl.Nc1cc(=O)[nH]c2nc(C(F)(F)F)nn12.
What is the InChIKey of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride?
The InChIKey is DRAHPJGSKGINOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N5O.ClH/c7-6(8,9)4-12-5-11-3(15)1-2(10)14(5)13-4;/h1H,10H2,(H,11,12,13,15);1H.
What are the key properties of 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride?
7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride has a molecular weight of 255.59 g/mol, XLogP of 0.44, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(trifluoromethyl)-4H-[1,2,4]triazolo[1,5-a]pyrimidin-5-one;hydrochloride is sourced from PubChem (CID 137129998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).