Home Other Building Blocks 4-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one

4-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one

CAS No.:
155431-59-7
Catalog Number:
AG01BG72
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
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Product Description
Catalog Number:
AG01BG72
Chemical Name:
4-(pyridin-4-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CAS Number:
155431-59-7
Molecular Formula:
C7H6N4O
Molecular Weight:
162.1487
MDL Number:
MFCD28125050
IUPAC Name:
4-pyridin-4-yl-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C7H6N4O/c12-7-10-9-5-11(7)6-1-3-8-4-2-6/h1-5H,(H,10,12)
InChI Key:
YFLZLYNJMLQUIM-UHFFFAOYSA-N
SMILES:
O=c1[nH]ncn1c1ccncc1
Properties
Complexity:
210  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.054g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.152g/mol
Monoisotopic Mass:
162.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  
Properties