Home Carboxys 2-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}pyrrolidine-2-carboxylic acid

2-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}pyrrolidine-2-carboxylic acid

CAS No.:
1394662-63-5
Catalog Number:
AG01A15Q
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
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Product Description
Catalog Number:
AG01A15Q
Chemical Name:
2-methyl-1-{3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl}pyrrolidine-2-carboxylic acid
CAS Number:
1394662-63-5
Molecular Formula:
C12H15N5O2
Molecular Weight:
261.2798
MDL Number:
MFCD20164687
IUPAC Name:
2-methyl-1-(3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C12H15N5O2/c1-8-14-15-10-9(13-5-7-16(8)10)17-6-3-4-12(17,2)11(18)19/h5,7H,3-4,6H2,1-2H3,(H,18,19)
InChI Key:
IBAYPSWHANEHFU-UHFFFAOYSA-N
SMILES:
OC(=O)C1(C)CCCN1c1nccn2c1nnc2C
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.123g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.285g/mol
Monoisotopic Mass:
261.123g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties