Home Other Building Blocks 1H-1,2,4-Triazol-5-amine, 3-(5-methyl-2-furanyl)-

1H-1,2,4-Triazol-5-amine, 3-(5-methyl-2-furanyl)-

CAS No.:
161793-06-2
Catalog Number:
AG001VW3
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
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Product Description
Catalog Number:
AG001VW3
Chemical Name:
1H-1,2,4-Triazol-5-amine, 3-(5-methyl-2-furanyl)-
CAS Number:
161793-06-2
Molecular Formula:
C7H8N4O
Molecular Weight:
164.1646
MDL Number:
MFCD11170347
IUPAC Name:
5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-amine
InChI:
InChI=1S/C7H8N4O/c1-4-2-3-5(12-4)6-9-7(8)11-10-6/h2-3H,1H3,(H3,8,9,10,11)
InChI Key:
RVOUCUWLVCIGJU-UHFFFAOYSA-N
SMILES:
Cc1ccc(o1)c1n[nH]c(n1)N
Properties
Complexity:
166  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.07g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.168g/mol
Monoisotopic Mass:
164.07g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties