Home Carbonyls 4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-5-amine

4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-5-amine

CAS No.:
1788532-59-1
Catalog Number:
AG01AM7C
Molecular Formula:
C7H11N5O
Molecular Weight:
181.1951
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Product Description
Catalog Number:
AG01AM7C
Chemical Name:
4-(pyrrolidine-1-carbonyl)-1H-1,2,3-triazol-5-amine
CAS Number:
1788532-59-1
Molecular Formula:
C7H11N5O
Molecular Weight:
181.1951
MDL Number:
MFCD29033892
IUPAC Name:
(5-amino-2H-triazol-4-yl)-pyrrolidin-1-ylmethanone
InChI:
InChI=1S/C7H11N5O/c8-6-5(9-11-10-6)7(13)12-3-1-2-4-12/h1-4H2,(H3,8,9,10,11)
InChI Key:
ZZNNYUXZAVMJCU-UHFFFAOYSA-N
SMILES:
O=C(c1nn[nH]c1N)N1CCCC1
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.096g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
181.199g/mol
Monoisotopic Mass:
181.096g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties