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

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

CAS No.:
1248663-31-1
Catalog Number:
AG01A6G1
Molecular Formula:
C7H7N5
Molecular Weight:
161.1640
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Product Description
Catalog Number:
AG01A6G1
Chemical Name:
1-(pyridin-4-yl)-1H-1,2,4-triazol-3-amine
CAS Number:
1248663-31-1
Molecular Formula:
C7H7N5
Molecular Weight:
161.1640
MDL Number:
MFCD14594797
IUPAC Name:
1-pyridin-4-yl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C7H7N5/c8-7-10-5-12(11-7)6-1-3-9-4-2-6/h1-5H,(H2,8,11)
InChI Key:
LDNUNVWEKYHLHA-UHFFFAOYSA-N
SMILES:
Nc1ncn(n1)c1ccncc1
Properties
Complexity:
145  
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:
0.2  
Properties