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67176-08-3 | ETHYL (5-OXO-1-QUINOLIN-2-YL-2,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)CARBAMATE
CAS No: 67176-08-3 Catalog No: AG006KLK MDL No:
Product Description
Catalog Number:
AG006KLK
Chemical Name:
ETHYL (5-OXO-1-QUINOLIN-2-YL-2,5-DIHYDRO-1H-1,2,4-TRIAZOL-3-YL)CARBAMATE
CAS Number:
67176-08-3
Molecular Formula:
C14H13N5O3
Molecular Weight:
299.2847
IUPAC Name:
ethyl N-(5-oxo-1-quinolin-2-yl-4H-1,2,4-triazol-3-yl)carbamate
InChI:
InChI=1S/C14H13N5O3/c1-2-22-14(21)17-12-16-13(20)19(18-12)11-8-7-9-5-3-4-6-10(9)15-11/h3-8H,2H2,1H3,(H2,16,17,18,20,21)
InChI Key:
BJDBLXKSFKVUTQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)Nc1[nH]n(c(=O)n1)c1ccc2c(n1)cccc2
UNII:
R0TRB6L7RB
NSC Number:
324538
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.102g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
299.29g/mol
Monoisotopic Mass:
299.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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