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

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

CAS No.:
1247079-34-0
Catalog Number:
AG01A3R6
Molecular Formula:
C7H12N4
Molecular Weight:
152.1970
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Product Description
Catalog Number:
AG01A3R6
Chemical Name:
4-methyl-3-(pyrrolidin-2-yl)-4H-1,2,4-triazole
CAS Number:
1247079-34-0
Molecular Formula:
C7H12N4
Molecular Weight:
152.1970
MDL Number:
MFCD16850766
IUPAC Name:
4-methyl-3-pyrrolidin-2-yl-1,2,4-triazole
InChI:
InChI=1S/C7H12N4/c1-11-5-9-10-7(11)6-3-2-4-8-6/h5-6,8H,2-4H2,1H3
InChI Key:
XDUNSNMMXUKPIN-UHFFFAOYSA-N
SMILES:
Cn1cnnc1C1CCCN1
Properties
Complexity:
138  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.106g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
152.201g/mol
Monoisotopic Mass:
152.106g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.6  
Properties