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70292-34-1 | 5-(4-PYRIDINYLAMINO)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
CAS No: 70292-34-1 Catalog No: AG005JWC MDL No:
Product Description
Catalog Number:
AG005JWC
Chemical Name:
5-(4-PYRIDINYLAMINO)-1H-1,2,3-TRIAZOLE-4-CARBOXYLIC ACID
CAS Number:
70292-34-1
Molecular Formula:
C8H7N5O2
Molecular Weight:
205.1735
IUPAC Name:
5-(pyridin-4-ylamino)-2H-triazole-4-carboxylic acid
InChI:
InChI=1S/C8H7N5O2/c14-8(15)6-7(12-13-11-6)10-5-1-3-9-4-2-5/h1-4H,(H,14,15)(H2,9,10,11,12,13)
InChI Key:
WHTOEHHCKTWONN-UHFFFAOYSA-N
SMILES:
OC(=O)c1nn[nH]c1Nc1ccncc1
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
205.177g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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