Home Other Building Blocks 1-(2-methylpropyl)-1H-1,2,4-triazole

1-(2-methylpropyl)-1H-1,2,4-triazole

CAS No.:
89531-93-1
Catalog Number:
AG01A4VY
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
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Product Description
Catalog Number:
AG01A4VY
Chemical Name:
1-(2-methylpropyl)-1H-1,2,4-triazole
CAS Number:
89531-93-1
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD18889619
IUPAC Name:
1-(2-methylpropyl)-1,2,4-triazole
InChI:
InChI=1S/C6H11N3/c1-6(2)3-9-5-7-4-8-9/h4-6H,3H2,1-2H3
InChI Key:
UFFDTRJUOGRGAF-UHFFFAOYSA-N
SMILES:
CC(Cn1ncnc1)C
Properties
Complexity:
82.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.095g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties