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88713-45-5 | Ethanol, 2-[(8-amino[1,2,4]triazolo[1,5-a]pyridin-2-yl)methoxy]-
CAS No: 88713-45-5 Catalog No: AG0045UE MDL No:
Product Description
Catalog Number:
AG0045UE
Chemical Name:
Ethanol, 2-[(8-amino[1,2,4]triazolo[1,5-a]pyridin-2-yl)methoxy]-
CAS Number:
88713-45-5
Molecular Formula:
C9H12N4O2
Molecular Weight:
208.2172
IUPAC Name:
2-[(8-amino-[1,2,4]triazolo[1,5-a]pyridin-2-yl)methoxy]ethanol
InChI:
InChI=1S/C9H12N4O2/c10-7-2-1-3-13-9(7)11-8(12-13)6-15-5-4-14/h1-3,14H,4-6,10H2
InChI Key:
DXOXMGXGVYTNTD-UHFFFAOYSA-N
SMILES:
OCCOCc1nn2c(n1)c(N)ccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.096g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
208.221g/mol
Monoisotopic Mass:
208.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
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