Home Other Building Blocks 2-(3-methyl-1H-1,2,4-triazol-5-yl)aniline

2-(3-methyl-1H-1,2,4-triazol-5-yl)aniline

CAS No.:
25568-69-8
Catalog Number:
AG01EJ9R
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
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Product Description
Catalog Number:
AG01EJ9R
Chemical Name:
2-(3-methyl-1H-1,2,4-triazol-5-yl)aniline
CAS Number:
25568-69-8
Molecular Formula:
C9H10N4
Molecular Weight:
174.2025
MDL Number:
MFCD11839769
IUPAC Name:
2-(5-methyl-1H-1,2,4-triazol-3-yl)aniline
InChI:
InChI=1S/C9H10N4/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,10H2,1H3,(H,11,12,13)
InChI Key:
MIFKRUNSFYRBSB-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(n1)c1ccccc1N
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:
2  
Isotope Atom Count:
0
Molecular Weight:
174.207g/mol
Monoisotopic Mass:
174.091g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties