Home Other Building Blocks 3-Methyl-5-(1-methylethyl)-1H-1,2,4-triazole

3-Methyl-5-(1-methylethyl)-1H-1,2,4-triazole

CAS No.:
87268-63-1
Catalog Number:
AG003ADD
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$252
- +
Product Description
Catalog Number:
AG003ADD
Chemical Name:
3-Methyl-5-(1-methylethyl)-1H-1,2,4-triazole
CAS Number:
87268-63-1
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD11215025
IUPAC Name:
5-methyl-3-propan-2-yl-1H-1,2,4-triazole
InChI:
InChI=1S/C6H11N3/c1-4(2)6-7-5(3)8-9-6/h4H,1-3H3,(H,7,8,9)
InChI Key:
LDTVMYHINZSUPV-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(n1)C(C)C
Properties
Complexity:
92.3  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties