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1627-31-2 | 1,2,4-Triazine-3,5(2H,4H)-dione, 4-ethyl-
CAS No: 1627-31-2 Catalog No: AG001TCH MDL No:MFCD01346683
Product Description
Catalog Number:
AG001TCH
Chemical Name:
1,2,4-Triazine-3,5(2H,4H)-dione, 4-ethyl-
CAS Number:
1627-31-2
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD01346683
IUPAC Name:
4-ethyl-2H-1,2,4-triazine-3,5-dione
InChI:
InChI=1S/C5H7N3O2/c1-2-8-4(9)3-6-7-5(8)10/h3H,2H2,1H3,(H,7,10)
InChI Key:
KQTUTBMZVOWQPV-UHFFFAOYSA-N
SMILES:
CCn1c(=O)cn[nH]c1=O
NSC Number:
227395
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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