Home Other Building Blocks N-[(1H-1,2,3-triazol-5-yl)methyl]aniline

N-[(1H-1,2,3-triazol-5-yl)methyl]aniline

CAS No.:
165397-77-3
Catalog Number:
AG01BDDX
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
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Product Description
Catalog Number:
AG01BDDX
Chemical Name:
N-[(1H-1,2,3-triazol-5-yl)methyl]aniline
CAS Number:
165397-77-3
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD14624765
IUPAC Name:
N-(2H-triazol-4-ylmethyl)aniline
InChI:
InChI=1S/C9H10N4/c1-2-4-8(5-3-1)10-6-9-7-11-13-12-9/h1-5,7,10H,6H2,(H,11,12,13)
InChI Key:
HRBWQOHSFYQKOI-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)NCc1cnn[nH]1
Properties
Complexity:
145  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
53.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties