Home Other Building Blocks 5-[2-(furan-2-yl)ethyl]-4H-1,2,4-triazol-3-amine

5-[2-(furan-2-yl)ethyl]-4H-1,2,4-triazol-3-amine

CAS No.:
1247999-80-9
Catalog Number:
AG01A6UV
Molecular Formula:
C8H10N4O
Molecular Weight:
178.1912
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Product Description
Catalog Number:
AG01A6UV
Chemical Name:
5-[2-(furan-2-yl)ethyl]-4H-1,2,4-triazol-3-amine
CAS Number:
1247999-80-9
Molecular Formula:
C8H10N4O
Molecular Weight:
178.1912
MDL Number:
MFCD14610765
IUPAC Name:
5-[2-(furan-2-yl)ethyl]-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C8H10N4O/c9-8-10-7(11-12-8)4-3-6-2-1-5-13-6/h1-2,5H,3-4H2,(H3,9,10,11,12)
InChI Key:
LVQLNCUBNHFWNK-UHFFFAOYSA-N
SMILES:
Nc1nnc([nH]1)CCc1ccco1
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.085g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.195g/mol
Monoisotopic Mass:
178.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties