Home Carboxys Ethyl 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

Ethyl 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate

CAS No.:
651744-40-0
Catalog Number:
AG00EFRK
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$232
- +
1g
95%
1 week
United States
$524
- +
Product Description
Catalog Number:
AG00EFRK
Chemical Name:
Ethyl 5-isopropyl-4-oxo-3,4-dihydropyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
CAS Number:
651744-40-0
Molecular Formula:
C12H15N3O3
Molecular Weight:
249.2658
MDL Number:
MFCD11976589
IUPAC Name:
ethyl 4-oxo-5-propan-2-yl-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
InChI:
InChI=1S/C12H15N3O3/c1-4-18-12(17)8-5-15-10(9(8)7(2)3)11(16)13-6-14-15/h5-7H,4H2,1-3H3,(H,13,14,16)
InChI Key:
VTASDCRFXWOYNX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cn2c(c1C(C)C)c(=O)[nH]cn2
Properties
Complexity:
381  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.111g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.27g/mol
Monoisotopic Mass:
249.111g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties