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

(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine

CAS No.:
1016776-40-1
Catalog Number:
AG019UD0
Molecular Formula:
C5H10N4
Molecular Weight:
126.1597
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Product Description
Catalog Number:
AG019UD0
Chemical Name:
(4-ethyl-4H-1,2,4-triazol-3-yl)methanamine
CAS Number:
1016776-40-1
Molecular Formula:
C5H10N4
Molecular Weight:
126.1597
MDL Number:
MFCD08456980
IUPAC Name:
(4-ethyl-1,2,4-triazol-3-yl)methanamine
InChI:
InChI=1S/C5H10N4/c1-2-9-4-7-8-5(9)3-6/h4H,2-3,6H2,1H3
InChI Key:
OTANTFOQCVGSJL-UHFFFAOYSA-N
SMILES:
NCc1nncn1CC
Properties
Complexity:
85  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.091g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.163g/mol
Monoisotopic Mass:
126.091g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4  
Properties