4-ethyl-5-methyl-2-(1H-tetrazol-5-yl)-1,2-dihydro-3H-pyrazol-3-one
Thuốc Gốc
Small Molecule
CTHH: C7H10N6O
PTK: 194.1939
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
194.1939
Monoisotopic mass
194.091608972
InChI
InChI=1S/C7H10N6O/c1-3-5-4(2)10-13(6(5)14)7-8-11-12-9-7/h10H,3H2,1-2H3,(H,8,9,11,12)
InChI Key
InChIKey=WAVWUEFMWJZZFB-UHFFFAOYSA-N
IUPAC Name
4-ethyl-5-methyl-2-(1H-1,2,3,4-tetrazol-5-yl)-2,3-dihydro-1H-pyrazol-3-one
Traditional IUPAC Name
4-ethyl-5-methyl-2-(1H-1,2,3,4-tetrazol-5-yl)-1H-pyrazol-3-one
SMILES
CCC1=C(C)NN(C1=O)C1=NN=NN1
Độ hòa tan
1.81e+00 g/l
logP
0.057
logS
-2
pKa (strongest acidic)
4.65
pKa (Strongest Basic)
0.65
PSA
86.8 Å2
Refractivity
62.83 m3·mol-1
Polarizability
18.8 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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