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Home > Imidazoles > 1638612-65-3
1638612-65-3 | 2-(1H-imidazol-1-ylcarbonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CAS No: 1638612-65-3 Catalog No: AG00HYX2 MDL No:MFCD26130294
Product Description
Catalog Number:
AG00HYX2
Chemical Name:
2-(1H-imidazol-1-ylcarbonyl)[1,2,4]triazolo[1,5-a]pyrimidine
CAS Number:
1638612-65-3
Molecular Formula:
C9H6N6O
Molecular Weight:
214.1835
MDL Number:
MFCD26130294
IUPAC Name:
imidazol-1-yl([1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
InChI:
InChI=1S/C9H6N6O/c16-8(14-5-3-10-6-14)7-12-9-11-2-1-4-15(9)13-7/h1-6H
InChI Key:
SYQVTJZNKZCADT-UHFFFAOYSA-N
SMILES:
O=C(c1nn2c(n1)nccc2)n1cncc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.06g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.188g/mol
Monoisotopic Mass:
214.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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