Home Other Building Blocks 1-tert-butyl-1H-1,2,4-triazol-3-amine

1-tert-butyl-1H-1,2,4-triazol-3-amine

CAS No.:
1380786-07-1
Catalog Number:
AG01A6KS
Molecular Formula:
C6H12N4
Molecular Weight:
140.1863
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Product Description
Catalog Number:
AG01A6KS
Chemical Name:
1-tert-butyl-1H-1,2,4-triazol-3-amine
CAS Number:
1380786-07-1
Molecular Formula:
C6H12N4
Molecular Weight:
140.1863
MDL Number:
MFCD24645678
IUPAC Name:
1-tert-butyl-1,2,4-triazol-3-amine
InChI:
InChI=1S/C6H12N4/c1-6(2,3)10-4-8-5(7)9-10/h4H,1-3H3,(H2,7,9)
InChI Key:
BGISKSHLHYGZFQ-UHFFFAOYSA-N
SMILES:
CC(n1cnc(n1)N)(C)C
Properties
Complexity:
117  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.106g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
140.19g/mol
Monoisotopic Mass:
140.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties