Home Other Building Blocks 5-propyl-1H-1,2,4-triazole-3-carboxamide

5-propyl-1H-1,2,4-triazole-3-carboxamide

CAS No.:
1539073-65-8
Catalog Number:
AG01BB9E
Molecular Formula:
C6H10N4O
Molecular Weight:
154.1698
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Product Description
Catalog Number:
AG01BB9E
Chemical Name:
5-propyl-1H-1,2,4-triazole-3-carboxamide
CAS Number:
1539073-65-8
Molecular Formula:
C6H10N4O
Molecular Weight:
154.1698
MDL Number:
MFCD22944885
IUPAC Name:
5-propyl-1H-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C6H10N4O/c1-2-3-4-8-6(5(7)11)10-9-4/h2-3H2,1H3,(H2,7,11)(H,8,9,10)
InChI Key:
WDYYCTTUVSQQII-UHFFFAOYSA-N
SMILES:
CCCc1nc(n[nH]1)C(=O)N
Properties
Complexity:
150  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
154.085g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
154.173g/mol
Monoisotopic Mass:
154.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties