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

3-(1-methyl-1H-1,2,3-triazol-4-yl)aniline

CAS No.:
1864363-69-8
Catalog Number:
AG01AKNI
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
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Product Description
Catalog Number:
AG01AKNI
Chemical Name:
3-(1-methyl-1H-1,2,3-triazol-4-yl)aniline
CAS Number:
1864363-69-8
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD30342663
IUPAC Name:
3-(1-methyltriazol-4-yl)aniline
InChI:
InChI=1S/C9H10N4/c1-13-6-9(11-12-13)7-3-2-4-8(10)5-7/h2-6H,10H2,1H3
InChI Key:
HXWYSLAMGOKXRR-UHFFFAOYSA-N
SMILES:
Nc1cccc(c1)c1nnn(c1)C
Properties
Complexity:
173  
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:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties