Home Other Building Blocks 3-METHYL-1-(PYRIDIN-4-YL)-1H-1,2,4-TRIAZOL-5-AMINE

3-METHYL-1-(PYRIDIN-4-YL)-1H-1,2,4-TRIAZOL-5-AMINE

CAS No.:
1247374-68-0
Catalog Number:
AG01DYKD
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
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Product Description
Catalog Number:
AG01DYKD
Chemical Name:
3-METHYL-1-(PYRIDIN-4-YL)-1H-1,2,4-TRIAZOL-5-AMINE
CAS Number:
1247374-68-0
Molecular Formula:
C8H9N5
Molecular Weight:
175.1906
MDL Number:
MFCD16845210
IUPAC Name:
5-methyl-2-pyridin-4-yl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C8H9N5/c1-6-11-8(9)13(12-6)7-2-4-10-5-3-7/h2-5H,1H3,(H2,9,11,12)
InChI Key:
VNIFLKWWLUJBST-UHFFFAOYSA-N
SMILES:
Nc1nc(nn1c1ccncc1)C
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.086g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.195g/mol
Monoisotopic Mass:
175.086g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties