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Oprea1_127719,MLS000051023,STK340228,ZINC00923945,BAS 03790401,SMR0000

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摘 要:Oprea1_127719,MLS000051023,STK340228,ZINC00923945,BAS 03790401,SMR000078808,N-[4-(4-morpholinylcarbonyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide, N-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,,5-a]pyrimidine-2-carboxamide,Canonic
[Synonyms]
Oprea1_127719
MLS000051023
STK340228
ZINC00923945
BAS 03790401
SMR000078808
N-[4-(4-morpholinylcarbonyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

[Structure]
Oprea1_127719,MLS000051023,STK340228,ZINC00923945,BAS 03790401,SMR0000

[ Properties Computed from Structure]
Molecular Weight352.34734 [g/mol]
Molecular FormulaC17H16N6O3
XLogP-1.2
H-Bond Donor1
H-Bond Acceptor7
Rotatable Bond Count3
Tautomer Count3
Exact Mass352.128388
MonoIsotopic Mass352.128388
Topological Polar Surface Area102
Heavy Atom Count26
Formal Charge0
Complexity519
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: N-[4-(morpholine-4-carbonyl)phenyl]-[1,2,4]triazolo[1,
5-a]pyrimidine-2-carboxamide
Canonical SMILES: C1COCCN1C(=O)C2=CC=C(C=C2)NC(=O)C3=NN4C=CC=NC4=N3
InChI: InChI=1/C17H16N6O3/c24-15(14-20-17-18-6-1-7-23(17)21-14)19-13-4-2-12(3-
5-13)16(25)22-8-10-26-11-9-22/h1-7H,8-11H2,(H,19,24)/f/h19H

 
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