5-methyl-N-[4-(trifluoromethyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Thuốc Gốc
Small Molecule
CTHH: C13H10F3N5
PTK: 293.2472
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
293.2472
Monoisotopic mass
293.08882996
InChI
InChI=1S/C13H10F3N5/c1-8-6-11(21-12(19-8)17-7-18-21)20-10-4-2-9(3-5-10)13(14,15)16/h2-7,20H,1H3
InChI Key
InChIKey=LRHHXKBKRNNFRV-UHFFFAOYSA-N
IUPAC Name
5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
Traditional IUPAC Name
5-methyl-N-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILES
CC1=NC2=NC=NN2C(NC2=CC=C(C=C2)C(F)(F)F)=C1
Độ hòa tan
8.43e-02 g/l
logP
2.75
logS
-3.5
pKa (strongest acidic)
18.54
pKa (Strongest Basic)
0.33
PSA
55.11 Å2
Refractivity
81.91 m3·mol-1
Polarizability
26.3 Å3
Rotatable Bond Count
3
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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