Home Other Building Blocks (1-tert-butyl-1H-1,2,4-triazol-5-yl)methanamine

(1-tert-butyl-1H-1,2,4-triazol-5-yl)methanamine

CAS No.:
1696194-38-3
Catalog Number:
AG01BGP6
Molecular Formula:
C7H14N4
Molecular Weight:
154.2129
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Product Description
Catalog Number:
AG01BGP6
Chemical Name:
(1-tert-butyl-1H-1,2,4-triazol-5-yl)methanamine
CAS Number:
1696194-38-3
Molecular Formula:
C7H14N4
Molecular Weight:
154.2129
MDL Number:
MFCD28348031
IUPAC Name:
(2-tert-butyl-1,2,4-triazol-3-yl)methanamine
InChI:
InChI=1S/C7H14N4/c1-7(2,3)11-6(4-8)9-5-10-11/h5H,4,8H2,1-3H3
InChI Key:
XBDAQUIRZHEBOJ-UHFFFAOYSA-N
SMILES:
NCc1ncnn1C(C)(C)C
Properties
Complexity:
129  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.122g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
154.217g/mol
Monoisotopic Mass:
154.122g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties