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

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

CAS No.:
1989671-84-2
Catalog Number:
AG01B6RV
Molecular Formula:
C7H12ClN5O
Molecular Weight:
217.6561
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Product Description
Catalog Number:
AG01B6RV
Chemical Name:
1-(pyrrolidin-3-yl)-1H-1,2,3-triazole-4-carboxamide hydrochloride
CAS Number:
1989671-84-2
Molecular Formula:
C7H12ClN5O
Molecular Weight:
217.6561
MDL Number:
MFCD30342921
IUPAC Name:
1-pyrrolidin-3-yltriazole-4-carboxamide;hydrochloride
InChI:
InChI=1S/C7H11N5O.ClH/c8-7(13)6-4-12(11-10-6)5-1-2-9-3-5;/h4-5,9H,1-3H2,(H2,8,13);1H
InChI Key:
NMQJXJXMCVUJEF-UHFFFAOYSA-N
SMILES:
NC(=O)c1nnn(c1)C1CNCC1.Cl
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.073g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
217.657g/mol
Monoisotopic Mass:
217.073g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties