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127692-01-7 | 3H-[1,2,4]Triazino[6,1-b]quinazoline-4,10-dione, 3-ethyl-
CAS No: 127692-01-7 Catalog No: AG000XAX MDL No:
Product Description
Catalog Number:
AG000XAX
Chemical Name:
3H-[1,2,4]Triazino[6,1-b]quinazoline-4,10-dione, 3-ethyl-
CAS Number:
127692-01-7
Molecular Formula:
C12H10N4O2
Molecular Weight:
242.2334
IUPAC Name:
3-ethyl-[1,2,4]triazino[6,1-b]quinazoline-4,10-dione
InChI:
InChI=1S/C12H10N4O2/c1-2-15-7-13-16-10(12(15)18)14-9-6-4-3-5-8(9)11(16)17/h3-7H,2H2,1H3
InChI Key:
RJGWERDCIPJMAJ-UHFFFAOYSA-N
SMILES:
CCn1cnn2c(c1=O)nc1c(c2=O)cccc1
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.08g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
242.238g/mol
Monoisotopic Mass:
242.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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