Home Other Building Blocks 4-(pyridin-3-yl)-4H-1,2,4-triazol-3-amine

4-(pyridin-3-yl)-4H-1,2,4-triazol-3-amine

CAS No.:
91447-44-8
Catalog Number:
AG01BB6F
Molecular Formula:
C7H7N5
Molecular Weight:
161.1640
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Product Description
Catalog Number:
AG01BB6F
Chemical Name:
4-(pyridin-3-yl)-4H-1,2,4-triazol-3-amine
CAS Number:
91447-44-8
Molecular Formula:
C7H7N5
Molecular Weight:
161.1640
MDL Number:
MFCD20706279
IUPAC Name:
4-pyridin-3-yl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C7H7N5/c8-7-11-10-5-12(7)6-2-1-3-9-4-6/h1-5H,(H2,8,11)
InChI Key:
OJOQMFLJTZDIJU-UHFFFAOYSA-N
SMILES:
Nc1nncn1c1cccnc1
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.07g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.168g/mol
Monoisotopic Mass:
161.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties