Home Other Building Blocks [1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanamine

[1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanamine

CAS No.:
944901-40-0
Catalog Number:
AG01A81S
Molecular Formula:
C10H12N4O
Molecular Weight:
204.2285
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Product Description
Catalog Number:
AG01A81S
Chemical Name:
[1-(3-methoxyphenyl)-1H-1,2,3-triazol-4-yl]methanamine
CAS Number:
944901-40-0
Molecular Formula:
C10H12N4O
Molecular Weight:
204.2285
MDL Number:
MFCD10696359
IUPAC Name:
[1-(3-methoxyphenyl)triazol-4-yl]methanamine
InChI:
InChI=1S/C10H12N4O/c1-15-10-4-2-3-9(5-10)14-7-8(6-11)12-13-14/h2-5,7H,6,11H2,1H3
InChI Key:
MWXKSQXCCVVJIW-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)n1nnc(c1)CN
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.101g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
204.233g/mol
Monoisotopic Mass:
204.101g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties