Home Nitriles 5-amino-1-(ethoxymethyl)-1H-1,2,3-triazole-4-carbonitrile

5-amino-1-(ethoxymethyl)-1H-1,2,3-triazole-4-carbonitrile

CAS No.:
2091484-38-5
Catalog Number:
AG01BTNJ
Molecular Formula:
C6H9N5O
Molecular Weight:
167.1686
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Product Description
Catalog Number:
AG01BTNJ
Chemical Name:
5-amino-1-(ethoxymethyl)-1H-1,2,3-triazole-4-carbonitrile
CAS Number:
2091484-38-5
Molecular Formula:
C6H9N5O
Molecular Weight:
167.1686
MDL Number:
MFCD30730623
IUPAC Name:
5-amino-1-(ethoxymethyl)triazole-4-carbonitrile
InChI:
InChI=1S/C6H9N5O/c1-2-12-4-11-6(8)5(3-7)9-10-11/h2,4,8H2,1H3
InChI Key:
OXAYJTVJZCXEEE-UHFFFAOYSA-N
SMILES:
CCOCn1nnc(c1N)C#N
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.081g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
167.172g/mol
Monoisotopic Mass:
167.081g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties