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2059955-25-6 | 5-{5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl}thiophene-2-carbaldehyde
CAS No: 2059955-25-6 Catalog No: AG01BOIU MDL No:MFCD30499176
Product Description
Catalog Number:
AG01BOIU
Chemical Name:
5-{5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyrazin-2-yl}thiophene-2-carbaldehyde
CAS Number:
2059955-25-6
Molecular Formula:
C10H10N4OS
Molecular Weight:
234.2776
MDL Number:
MFCD30499176
IUPAC Name:
5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)thiophene-2-carbaldehyde
InChI:
InChI=1S/C10H10N4OS/c15-6-7-1-2-8(16-7)10-12-9-5-11-3-4-14(9)13-10/h1-2,6,11H,3-5H2
InChI Key:
OWNWUANURJIUBK-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(s1)c1nn2c(n1)CNCC2
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.058g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.277g/mol
Monoisotopic Mass:
234.058g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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