Home Other Building Blocks 3-(4H-1,2,4-triazol-4-ylmethyl)aniline

3-(4H-1,2,4-triazol-4-ylmethyl)aniline

CAS No.:
1249332-95-3
Catalog Number:
AG019T87
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
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Product Description
Catalog Number:
AG019T87
Chemical Name:
3-(4H-1,2,4-triazol-4-ylmethyl)aniline
CAS Number:
1249332-95-3
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD16845535
IUPAC Name:
3-(1,2,4-triazol-4-ylmethyl)aniline
InChI:
InChI=1S/C9H10N4/c10-9-3-1-2-8(4-9)5-13-6-11-12-7-13/h1-4,6-7H,5,10H2
InChI Key:
NXPMKEWNSXIJNP-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)Cn1cnnc1
Properties
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.091g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties