Home Other Building Blocks 4-methyl-3-(propan-2-yl)-4H-1,2,4-triazole

4-methyl-3-(propan-2-yl)-4H-1,2,4-triazole

CAS No.:
1240527-41-6
Catalog Number:
AG01A93G
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
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Product Description
Catalog Number:
AG01A93G
Chemical Name:
4-methyl-3-(propan-2-yl)-4H-1,2,4-triazole
CAS Number:
1240527-41-6
Molecular Formula:
C6H11N3
Molecular Weight:
125.1716
MDL Number:
MFCD16622036
IUPAC Name:
4-methyl-3-propan-2-yl-1,2,4-triazole
InChI:
InChI=1S/C6H11N3/c1-5(2)6-8-7-4-9(6)3/h4-5H,1-3H3
InChI Key:
NEEHZOMPACKFRR-UHFFFAOYSA-N
SMILES:
CC(c1nncn1C)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:
0
Isotope Atom Count:
0
Molecular Weight:
125.175g/mol
Monoisotopic Mass:
125.095g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties