Home Carboxys 5-({3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}oxy)pyridine-3-carboxylic acid dihydrochloride

5-({3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}oxy)pyridine-3-carboxylic acid dihydrochloride

CAS No.:
1421604-98-9
Catalog Number:
AG01A1BI
Molecular Formula:
C12H11Cl2N5O3
Molecular Weight:
344.1534
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Product Description
Catalog Number:
AG01A1BI
Chemical Name:
5-({3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}oxy)pyridine-3-carboxylic acid dihydrochloride
CAS Number:
1421604-98-9
Molecular Formula:
C12H11Cl2N5O3
Molecular Weight:
344.1534
MDL Number:
MFCD22392237
IUPAC Name:
5-[(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)oxy]pyridine-3-carboxylic acid;dihydrochloride
InChI:
InChI=1S/C12H9N5O3.2ClH/c1-7-15-16-10-11(14-2-3-17(7)10)20-9-4-8(12(18)19)5-13-6-9;;/h2-6H,1H3,(H,18,19);2*1H
InChI Key:
DJKQKEAGQDSPSQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cncc(c1)Oc1nccn2c1nnc2C.Cl.Cl
Properties
Complexity:
369  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.024g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
344.152g/mol
Monoisotopic Mass:
343.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties