Home Other Building Blocks 1H-1,2,4-Triazole-5-methanamine, 1-methyl-

1H-1,2,4-Triazole-5-methanamine, 1-methyl-

CAS No.:
244639-03-0
Catalog Number:
AG002O7Q
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
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Product Description
Catalog Number:
AG002O7Q
Chemical Name:
1H-1,2,4-Triazole-5-methanamine, 1-methyl-
CAS Number:
244639-03-0
Molecular Formula:
C4H8N4
Molecular Weight:
112.1331
MDL Number:
MFCD06410879
IUPAC Name:
(2-methyl-1,2,4-triazol-3-yl)methanamine
InChI:
InChI=1S/C4H8N4/c1-8-4(2-5)6-3-7-8/h3H,2,5H2,1H3
InChI Key:
UYDIYTPFKQIUCB-UHFFFAOYSA-N
SMILES:
Cn1ncnc1CN
Properties
Complexity:
74.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
112.075g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
112.136g/mol
Monoisotopic Mass:
112.075g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties