Home Other Building Blocks 1-(4H-1,2,4-triazol-4-yl)propan-2-amine

1-(4H-1,2,4-triazol-4-yl)propan-2-amine

CAS No.:
1341337-53-8
Catalog Number:
AG019ZW2
Molecular Formula:
C5H10N4
Molecular Weight:
126.1597
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Product Description
Catalog Number:
AG019ZW2
Chemical Name:
1-(4H-1,2,4-triazol-4-yl)propan-2-amine
CAS Number:
1341337-53-8
Molecular Formula:
C5H10N4
Molecular Weight:
126.1597
MDL Number:
MFCD18875381
IUPAC Name:
1-(1,2,4-triazol-4-yl)propan-2-amine
InChI:
InChI=1S/C5H10N4/c1-5(6)2-9-3-7-8-4-9/h3-5H,2,6H2,1H3
InChI Key:
HAMJVQKPXSMCJC-UHFFFAOYSA-N
SMILES:
CC(Cn1cnnc1)N
Properties
Complexity:
79  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.1  
Properties