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1159490-81-9 | 1H-Pyrazole-1-ethanol, 4-[1-(6-quinolinylmethyl)-1H-1,2,3-triazolo[4,5-b]pyrazin-6-yl]-, hydrochloride (1:1)
CAS No: 1159490-81-9 Catalog No: AG000H5I MDL No:
Product Description
Catalog Number:
AG000H5I
Chemical Name:
1H-Pyrazole-1-ethanol, 4-[1-(6-quinolinylmethyl)-1H-1,2,3-triazolo[4,5-b]pyrazin-6-yl]-, hydrochloride (1:1)
CAS Number:
1159490-81-9
Molecular Formula:
C19H17ClN8O
Molecular Weight:
408.8443
IUPAC Name:
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol;hydrochloride
InChI:
InChI=1S/C19H16N8O.ClH/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16;/h1-5,8-10,12,28H,6-7,11H2;1H
InChI Key:
HGQFZZOIHJTGJW-UHFFFAOYSA-N
SMILES:
OCCn1ncc(c1)c1cnc2c(n1)n(nn2)Cc1ccc2c(c1)cccn2.Cl
UNII:
EA0E6NGB9V
Properties
Complexity:
524
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.121g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
408.85g/mol
Monoisotopic Mass:
408.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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