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101861-35-2 | [1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-ethyl-
CAS No: 101861-35-2 Catalog No: AG0005RF MDL No:
Product Description
Catalog Number:
AG0005RF
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyrimidin-7-ol, 5-ethyl-
CAS Number:
101861-35-2
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
IUPAC Name:
5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
InChI:
InChI=1S/C7H8N4O/c1-2-5-3-6(12)11-7(10-5)8-4-9-11/h3-4H,2H2,1H3,(H,8,9,10)
InChI Key:
NXQODAHSDCKCJX-UHFFFAOYSA-N
SMILES:
CCc1cc(O)n2c(n1)ncn2
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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