Home Other Building Blocks 1-cyclopropyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one

1-cyclopropyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one

CAS No.:
69049-02-1
Catalog Number:
AG01BBCN
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
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Product Description
Catalog Number:
AG01BBCN
Chemical Name:
1-cyclopropyl-4,5-dihydro-1H-1,2,3,4-tetrazol-5-one
CAS Number:
69049-02-1
Molecular Formula:
C4H6N4O
Molecular Weight:
126.1166
MDL Number:
MFCD28505953
IUPAC Name:
4-cyclopropyl-1H-tetrazol-5-one
InChI:
InChI=1S/C4H6N4O/c9-4-5-6-7-8(4)3-1-2-3/h3H,1-2H2,(H,5,7,9)
InChI Key:
GUTNODKBPXZJOD-UHFFFAOYSA-N
SMILES:
O=c1[nH]nnn1C1CC1
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
126.054g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
126.119g/mol
Monoisotopic Mass:
126.054g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
57.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Properties